(4-cyanophenyl)methyl (E)-3-(3,4-dichlorophenyl)prop-2-enoate

Formula:C17H11NO2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4-cyanophenyl)methyl (E)-3-(3,4-dichlorophenyl)prop-2-enoate is a drug-like molecule.

MolName	(4-cyanophenyl)methyl (E)-3-(3,4-dichlorophenyl)prop-2-enoate
MolecularFormula	C17H11NO2Cl2
Smiles	N#Cc1ccc(COC(/C=C/c(cc2)cc(Cl)c2Cl)=O)cc1
InChI	InChI=1S/C17H11Cl2NO2/c18-15-7-5-12(9-16(15)19)6-8-17(21)22-11-14-3-1-13(10-20)2-4-14/h1-9H,11H2
InChIK	ITZKWXPIWRULDA-UHFFFAOYSA-N
TotalMolweight	332.185
Molweight	332.185
MonoisotopicMass	331.016683
CLogP	4.3675
CLogS	-5.695
H Acceptors	3
TotalSurfaceArea	253.58
Relative PSA	0.14433
PolarSurfaceArea	50.09
Druglikeness	-7.1655
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.72727
Fragments	1
Non HAtoms	22
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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