(E)-3-[5-(3-chlorophenyl)furan-2-yl]-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile

Formula:C25H20N5O2Cl Mutagenic:high Tumorigenic:high Reproductive Effective:low (E)-3-[5-(3-chlorophenyl)furan-2-yl]-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-[5-(3-chlorophenyl)furan-2-yl]-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile
MolecularFormula	C25H20N5O2Cl
Smiles	N#C/C(/c(n1-c2ccccc2)nnc1N1CCOCC1)=C\c1ccc(-c2cccc(Cl)c2)o1
InChI	InChI=1S/C25H20ClN5O2/c26-20-6-4-5-18(15-20)23-10-9-22(33-23)16-19(17-27)24-28-29-25(30-11-13-32-14-12-30)31(24)21-7-2-1-3-8-21/h1-10,15-16H,11-14H2
InChIK	ZOPZGSZKCUXHMT-UHFFFAOYSA-N
TotalMolweight	457.92
Molweight	457.92
MonoisotopicMass	457.130552
CLogP	4.0378
CLogS	-7.722
H Acceptors	7
TotalSurfaceArea	352.63
Relative PSA	0.19859
PolarSurfaceArea	80.11
Druglikeness	-0.15215
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	5
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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1 - (E)-3-[5-(3-chlorophenyl)furan-2-yl]-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile | 2 - (E)-3-[5-(3-chlorophenyl)furan-2-yl]-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile

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