C1CN(CC2=C1C3=C(N2)C=CC(=C3)Cl)C(=O)C4=CC=CC=C4
Name: (6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-phenylmethanone
SMILES: C1CN(CC2=C1C3=C(N2)C=CC(=C3)Cl)C(=O)C4=CC=CC=C4

Molecular Processing

Molecular formula
C18H15ClN2O
Molecular weight
310.78
Exact mass
310.0873
XLogP
4.02
TPSA
36.1
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
22
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
88.2

Supplementary Information

InChIKey: LUFITPGRMPLUOU-UHFFFAOYSA-N
Synonyme
SCHEMBL1798021LUFITPGRMPLUOU-UHFFFAOYSA-N(6-chloro-1,3,4,9-tetrahydro-beta-carbolin-2-yl)-phenyl-methanone
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