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

Formula:C26H20N3OCl Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-(2-chlorophenyl)-N-(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide is not a drug-like molecule.

MolName	1-(2-chlorophenyl)-N-(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C26H20N3OCl
Smiles	O=C(c(nc1-c(cccc2)c2Cl)cc2c1[nH]c1c2cccc1)NCCc1ccccc1
InChI	InChI=1S/C26H20ClN3O/c27-21-12-6-4-11-19(21)24-25-20(18-10-5-7-13-22(18)29-25)16-23(30-24)26(31)28-15-14-17-8-2-1-3-9-17/h1-13,16,29H,14-15H2,(H,28,31)
InChIK	HWPZNSMXSOKQQH-UHFFFAOYSA-N
TotalMolweight	425.918
Molweight	425.918
MonoisotopicMass	425.129489
CLogP	5.7122
CLogS	-6.825
H Acceptors	4
H Donors	2
TotalSurfaceArea	322.46
Relative PSA	0.15338
PolarSurfaceArea	57.78
Druglikeness	1.4646
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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