2-[1-[(Z)-3-(4-bromophenyl)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile

Formula:C23H14N3O2Br Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[1-[(Z)-3-(4-bromophenyl)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile is a drug-like molecule.

MolName	2-[1-[(Z)-3-(4-bromophenyl)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile
MolecularFormula	C23H14N3O2Br
Smiles	N#CC(C#N)=C(C=CC=C1)N1/C(/C(c(cc1)ccc1Br)=O)=C\c(cc1)ccc1O
InChI	InChI=1S/C23H14BrN3O2/c24-19-8-6-17(7-9-19)23(29)22(13-16-4-10-20(28)11-5-16)27-12-2-1-3-21(27)18(14-25)15-26/h1-13,28H
InChIK	YISVYMILPVWJBU-UHFFFAOYSA-N
TotalMolweight	444.287
Molweight	444.287
MonoisotopicMass	443.026938
CLogP	4.2921
CLogS	-6.061
H Acceptors	5
H Donors	1
TotalSurfaceArea	316.6
Relative PSA	0.17944
PolarSurfaceArea	88.12
Druglikeness	-8.0895
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; 1,1-dinitrile
Shape Index	0.44828
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	6
BasicNitrogens	1
StereoCon

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1 - 2-[1-[(Z)-3-(4-bromophenyl)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile | 2 - 2-[1-[(Z)-3-(4-bromophenyl)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile

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