1-(2-chlorophenyl)-N-(3-hydroxypropyl)-9H-pyrido[3,4-b]indole-3-carboxamide

Formula:C21H18N3O2Cl Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-(2-chlorophenyl)-N-(3-hydroxypropyl)-9H-pyrido[3,4-b]indole-3-carboxamide is a drug-like molecule.

MolName	1-(2-chlorophenyl)-N-(3-hydroxypropyl)-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C21H18N3O2Cl
Smiles	OCCCNC(c(nc1-c(cccc2)c2Cl)cc2c1[nH]c1c2cccc1)=O
InChI	InChI=1S/C21H18ClN3O2/c22-16-8-3-1-7-14(16)19-20-15(13-6-2-4-9-17(13)24-20)12-18(25-19)21(27)23-10-5-11-26/h1-4,6-9,12,24,26H,5,10-11H2,(H,23,27)
InChIK	IXHCNCCQZSDMEP-UHFFFAOYSA-N
TotalMolweight	379.846
Molweight	379.846
MonoisotopicMass	379.108754
CLogP	3.798
CLogS	-5.453
H Acceptors	5
H Donors	3
TotalSurfaceArea	282.81
Relative PSA	0.22121
PolarSurfaceArea	78.01
Druglikeness	-0.4107
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48148
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	4
Amides	1
Aromatic Nitrogens	2
StereoCon

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