(E)-3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide

Formula:C25H18N3O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
MolecularFormula	C25H18N3O2Cl
Smiles	N#C/C(/C(Nc(cc1)ccc1O)=O)=C\c1cn(Cc(cc2)ccc2Cl)c2c1cccc2
InChI	InChI=1S/C25H18ClN3O2/c26-20-7-5-17(6-8-20)15-29-16-19(23-3-1-2-4-24(23)29)13-18(14-27)25(31)28-21-9-11-22(30)12-10-21/h1-13,16,30H,15H2,(H,28,31)
InChIK	FZYGEQRSCOJBQW-UHFFFAOYSA-N
TotalMolweight	427.89
Molweight	427.89
MonoisotopicMass	427.108754
CLogP	4.7783
CLogS	-5.188
H Acceptors	5
H Donors	2
TotalSurfaceArea	327.74
Relative PSA	0.17706
PolarSurfaceArea	78.05
Druglikeness	-0.072183
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - (E)-3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide | 2 - (E)-3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide

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