CCSC1=C(C=C2C3=C(C=NC=C3)NC2=C1[N+](=O)[O-])Cl
Name: 6-chloro-7-ethylsulfanyl-8-nitro-9H-pyrido[3,4-b]indole
SMILES: CCSC1=C(C=C2C3=C(C=NC=C3)NC2=C1[N+](=O)[O-])Cl

Molecular Processing

Molecular formula
C13H10ClN3O2S
Molecular weight
307.76
Exact mass
307.0182
XLogP
4.39
TPSA
71.82
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
20
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
81.66

Supplementary Information

InChIKey: XCHVWCLDEKYPAS-UHFFFAOYSA-N
Synonyme
SCHEMBL1800524XCHVWCLDEKYPAS-UHFFFAOYSA-N6-chloro-7-ethylsulfanyl-8-nitro-9H-beta-carboline
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