1-[(Z)-2-(4-bromophenyl)ethenyl]-9H-pyrido[3,4-b]indole

Formula:C19H13N2Br Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-[(Z)-2-(4-bromophenyl)ethenyl]-9H-pyrido[3,4-b]indole is not a drug-like molecule.

MolName	1-[(Z)-2-(4-bromophenyl)ethenyl]-9H-pyrido[3,4-b]indole
MolecularFormula	C19H13N2Br
Smiles	Brc1ccc(/C=C\c2nccc3c2[nH]c2c3cccc2)cc1
InChI	InChI=1S/C19H13BrN2/c20-14-8-5-13(6-9-14)7-10-18-19-16(11-12-21-18)15-3-1-2-4-17(15)22-19/h1-12,22H
InChIK	UKEXBVIYHUXTKK-UHFFFAOYSA-N
TotalMolweight	349.23
Molweight	349.23
MonoisotopicMass	348.026209
CLogP	5.0012
CLogS	-5.841
H Acceptors	2
H Donors	1
TotalSurfaceArea	235.68
Relative PSA	0.10591
PolarSurfaceArea	28.68
Druglikeness	-2.443
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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