(E)-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide

Formula:C17H11N4O4Cl Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide
MolecularFormula	C17H11N4O4Cl
Smiles	[O-][N+](c1cccc(/C=C/C(Nc2nnc(-c(cc3)ccc3Cl)o2)=O)c1)=O
InChI	InChI=1S/C17H11ClN4O4/c18-13-7-5-12(6-8-13)16-20-21-17(26-16)19-15(23)9-4-11-2-1-3-14(10-11)22(24)25/h1-10H,(H,19,21,23)
InChIK	YWQXMGWWSUVOST-UHFFFAOYSA-N
TotalMolweight	370.751
Molweight	370.751
MonoisotopicMass	370.046883
CLogP	3.0153
CLogS	-6.694
H Acceptors	8
H Donors	1
TotalSurfaceArea	274.79
Relative PSA	0.33105
PolarSurfaceArea	113.84
Druglikeness	-4.1176
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.65385
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
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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