(E)-3-(2-chloroquinolin-3-yl)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile

Formula:C24H19N6OCl Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-3-(2-chloroquinolin-3-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-(2-chloroquinolin-3-yl)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile
MolecularFormula	C24H19N6OCl
Smiles	N#C/C(/c(n1-c2ccccc2)nnc1N1CCOCC1)=C\c1cc2ccccc2nc1Cl
InChI	InChI=1S/C24H19ClN6O/c25-22-18(14-17-6-4-5-9-21(17)27-22)15-19(16-26)23-28-29-24(30-10-12-32-13-11-30)31(23)20-7-2-1-3-8-20/h1-9,14-15H,10-13H2
InChIK	AVQCMTYBMXNABV-UHFFFAOYSA-N
TotalMolweight	442.909
Molweight	442.909
MonoisotopicMass	442.130886
CLogP	3.5123
CLogS	-6.731
H Acceptors	7
TotalSurfaceArea	336.54
Relative PSA	0.19876
PolarSurfaceArea	79.86
Druglikeness	-1.0048
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	5
Symmetricatoms	4
Aromatic Nitrogens	4
StereoCon

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