(E)-3-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(2-chlorophenyl)-2-cyanoprop-2-enamide

Formula:C27H18N2O2BrCl Mutagenic:low Tumorigenic:high Reproductive Effective:none (E)-3-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(2-chlorophenyl)-2-cyanoprop-2-enamide is not a drug-like molecule.

MolName	(E)-3-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(2-chlorophenyl)-2-cyanoprop-2-enamide
MolecularFormula	C27H18N2O2BrCl
Smiles	N#C/C(/C(Nc(cccc1)c1Cl)=O)=C\c(cc1)cc(Br)c1OCc1cccc2ccccc12
InChI	InChI=1S/C27H18BrClN2O2/c28-23-15-18(14-21(16-30)27(32)31-25-11-4-3-10-24(25)29)12-13-26(23)33-17-20-8-5-7-19-6-1-2-9-22(19)20/h1-15H,17H2,(H,31,32)
InChIK	OJPPLSLLBFOILD-UHFFFAOYSA-N
TotalMolweight	517.809
Molweight	517.809
MonoisotopicMass	516.024016
CLogP	6.862
CLogS	-8.287
H Acceptors	4
H Donors	1
TotalSurfaceArea	360.82
Relative PSA	0.1332
PolarSurfaceArea	62.12
Druglikeness	-3.7028
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions	twice activated DB
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Amides	1
StereoCon

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