KEGG   COMPOUND: C11096Help
Entry
C11096                      Compound                               

Name
Croconazole
Formula
C18H15ClN2O
Exact mass
310.0873
Mol weight
310.7775
Structure
Mol fileKCF fileDB search
Remark
Same as: D07752
Other DBs
CAS: 77175-51-0
PubChem: 13278
ChEBI: 3920
ChEMBL: CHEMBL27289
NIKKAJI: J22.793E
LinkDB All DBs
KCF data Show

ATOM        22
            1   C8x C    25.8759  -19.9641
            2   C8x C    26.3099  -18.6317
            3   N4y N    25.1646  -17.8019
            4   C8x C    24.0335  -18.6317
            5   N5x N    24.4743  -19.9641
            6   C8y C    26.3270  -14.3299
            7   C8y C    26.3200  -15.7244
            8   C8x C    27.5382  -16.4277
            9   C8x C    28.7564  -15.7435
            10  C8x C    28.7564  -14.3350
            11  C8x C    27.5453  -13.6246
            12  C8x C    20.2773  -12.2382
            13  C8x C    20.2773  -13.6327
            14  C8x C    21.4948  -14.3299
            15  C8y C    22.7054  -13.6327
            16  C8x C    22.7054  -12.2382
            17  C8y C    21.4948  -11.5479
            18  C1b C    23.9043  -14.3299
            19  O2a O    25.1226  -13.6256
            20  C2c C    25.1086  -16.4075
            21  C2a C    23.8832  -15.7173
            22  X   Cl   21.4816  -10.1534
BOND        24
            1    11   6 1
            2     1   2 2
            3     2   3 1
            4     3   4 1
            5     4   5 2
            6     5   1 1
            7    12  13 2
            8    13  14 1
            9    14  15 2
            10   15  16 1
            11   16  17 2
            12   17  12 1
            13    6   7 2
            14   15  18 1
            15    7   8 1
            16   18  19 1
            17   19   6 1
            18    8   9 2
            19    7  20 1
            20   20   3 1
            21    9  10 1
            22   20  21 2
            23   10  11 2
            24   17  22 1

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