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

Formula:C18H13N4O3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide
MolecularFormula	C18H13N4O3ClS
Smiles	[O-][N+](c1cccc(/C=C/C(Nc2nnc(Cc(cc3)ccc3Cl)s2)=O)c1)=O
InChI	InChI=1S/C18H13ClN4O3S/c19-14-7-4-13(5-8-14)11-17-21-22-18(27-17)20-16(24)9-6-12-2-1-3-15(10-12)23(25)26/h1-10H,11H2,(H,20,22,24)
InChIK	IRNYMXXHOUMSKI-UHFFFAOYSA-N
TotalMolweight	400.845
Molweight	400.845
MonoisotopicMass	400.039688
CLogP	3.4796
CLogS	-5.612
H Acceptors	7
H Donors	1
TotalSurfaceArea	294.8
Relative PSA	0.32978
PolarSurfaceArea	128.94
Druglikeness	-2.38
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.66667
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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