Name: 2-[(6-chloro-8-nitro-9H-pyrido[3,4-b]indol-7-yl)sulfanyl]-N,N-dimethylethanamine
SMILES:
CN(C)CCSC1=C(C=C2C3=C(C=NC=C3)NC2=C1[N+](=O)[O-])ClMolecular Processing
Molecular formula
C15H15ClN4O2S
Molecular weight
350.83
Exact mass
350.0604
XLogP
3.93
TPSA
75.06
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
94.54
Supplementary Information
InChIKey: JIILUWWXYBUTPB-UHFFFAOYSA-N
Synonyme
SCHEMBL1801594JIILUWWXYBUTPB-UHFFFAOYSA-N[2-(6-chloro-8-nitro-9H-beta-carbolin-7-ylsulfanyl)-ethyl]-dimethyl-amine
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