CCOc1c(Cl)cc2c([nH]c3cnccc32)c1N
Name: 6-chloro-7-ethoxy-9H-pyrido[3,4-b]indol-8-amine
SMILES: CCOc1c(Cl)cc2c([nH]c3cnccc32)c1N

Molecular Processing

Molecular formula
C13H12ClN3O
Molecular weight
261.71
Exact mass
261.0669
XLogP
3.35
TPSA
63.93
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
74.19

Supplementary Information

InChIKey: CIKAESZSRYLUGR-UHFFFAOYSA-N
Synonyme
SCHEMBL1797102CIKAESZSRYLUGR-UHFFFAOYSA-N6-chloro-7-ethoxy-9H-beta-carbolin-8-ylamine
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