(Z)-1-(2,4-dichlorophenyl)-3-(4-nitrophenyl)-3-(1,2,4-triazol-1-yl)prop-2-en-1-one

Formula:C17H10N4O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-1-(2,4-dichlorophenyl)-3-(4-nitrophenyl)-3-(1,2,4-triazol-1-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(Z)-1-(2,4-dichlorophenyl)-3-(4-nitrophenyl)-3-(1,2,4-triazol-1-yl)prop-2-en-1-one
MolecularFormula	C17H10N4O3Cl2
Smiles	[O-][N+](c(cc1)ccc1/C(/n1ncnc1)=C/C(c(ccc(Cl)c1)c1Cl)=O)=O
InChI	InChI=1S/C17H10Cl2N4O3/c18-12-3-6-14(15(19)7-12)17(24)8-16(22-10-20-9-21-22)11-1-4-13(5-2-11)23(25)26/h1-10H
InChIK	SNLLJDKZURNOIR-UHFFFAOYSA-N
TotalMolweight	389.197
Molweight	389.197
MonoisotopicMass	388.012995
CLogP	3.0825
CLogS	-6.833
H Acceptors	7
TotalSurfaceArea	276.47
Relative PSA	0.2614
PolarSurfaceArea	93.6
Druglikeness	-1.1523
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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