(Z)-2-(4-bromophenyl)-3-[1-(3-bromophenyl)pyrrol-2-yl]prop-2-enenitrile

Formula:C19H12N2Br2 Mutagenic:none Tumorigenic:low Reproductive Effective:low (Z)-2-(4-bromophenyl)-3-[1-(3-bromophenyl)pyrrol-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(Z)-2-(4-bromophenyl)-3-[1-(3-bromophenyl)pyrrol-2-yl]prop-2-enenitrile
MolecularFormula	C19H12N2Br2
Smiles	N#C/C(/c(cc1)ccc1Br)=C\c1cccn1-c1cccc(Br)c1
InChI	InChI=1S/C19H12Br2N2/c20-16-8-6-14(7-9-16)15(13-22)11-18-5-2-10-23(18)19-4-1-3-17(21)12-19/h1-12H
InChIK	FSYDDDQVZWXPEF-UHFFFAOYSA-N
TotalMolweight	428.126
Molweight	428.126
MonoisotopicMass	425.93672
CLogP	5.0219
CLogS	-7.634
H Acceptors	2
TotalSurfaceArea	265.66
Relative PSA	0.076903
PolarSurfaceArea	28.72
Druglikeness	-4.8375
Mutagenic	none
Tumorigenic	low
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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