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

Formula:C20H16N3O2Br Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-(3-bromophenyl)-N-(2-hydroxyethyl)-9H-pyrido[3,4-b]indole-3-carboxamide is a drug-like molecule.

MolName	1-(3-bromophenyl)-N-(2-hydroxyethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C20H16N3O2Br
Smiles	OCCNC(c(nc1-c2cccc(Br)c2)cc2c1[nH]c1c2cccc1)=O
InChI	InChI=1S/C20H16BrN3O2/c21-13-5-3-4-12(10-13)18-19-15(14-6-1-2-7-16(14)23-19)11-17(24-18)20(26)22-8-9-25/h1-7,10-11,23,25H,8-9H2,(H,22,26)
InChIK	SFPGMNWYVUHGQD-UHFFFAOYSA-N
TotalMolweight	410.27
Molweight	410.27
MonoisotopicMass	409.042588
CLogP	3.4628
CLogS	-5.281
H Acceptors	5
H Donors	3
TotalSurfaceArea	272.26
Relative PSA	0.22978
PolarSurfaceArea	78.01
Druglikeness	-0.44128
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46154
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	3
Amides	1
Aromatic Nitrogens	2
StereoCon

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