(E)-3-[3-[amino(difluoro)methyl]phenyl]-N-(4-chlorophenyl)-2-cyanoprop-2-enamide

Formula:C17H12N3OClF2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3-[amino(difluoro)methyl]phenyl]-N-(4-chlorophenyl)-2-cyanoprop-2-enamide is a drug-like molecule.

MolName	(E)-3-[3-[amino(difluoro)methyl]phenyl]-N-(4-chlorophenyl)-2-cyanoprop-2-enamide
MolecularFormula	C17H12N3OClF2
Smiles	NC(c1cccc(/C=C(/C(Nc(cc2)ccc2Cl)=O)\C#N)c1)(F)F
InChI	InChI=1S/C17H12ClF2N3O/c18-14-4-6-15(7-5-14)23-16(24)12(10-21)8-11-2-1-3-13(9-11)17(19,20)22/h1-9H,22H2,(H,23,24)
InChIK	NEUZJCOOKKHHLU-UHFFFAOYSA-N
TotalMolweight	347.751
Molweight	347.751
MonoisotopicMass	347.063695
CLogP	3.3437
CLogS	-4.778
H Acceptors	4
H Donors	2
TotalSurfaceArea	255.7
Relative PSA	0.20856
PolarSurfaceArea	78.91
Druglikeness	-6.4865
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	3
Amides	1
BasicNitrogens	1
StereoCon

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