이름: 9-chloro-3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole
SMILES:
CN1CCC2=C(CC1)NC3=C2C=C(C=C3)ClMolecular Processing
Molecular formula
C13H15ClN2
Molecular weight
234.73
Exact mass
234.0924
XLogP
2.85
TPSA
19.03
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
16
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
68.21
Supplementary Information
InChIKey: TYXDAIARWPEUFG-UHFFFAOYSA-N
동의어
SCHEMBL3231659TYXDAIARWPEUFG-UHFFFAOYSA-N9-chloro-1,2,3,4,5,6-hexahydro-3-methylazepino[4,5-b]indole9-Chloro-3-methyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole
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