(E)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide

Formula:C17H18N4O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide
MolecularFormula	C17H18N4O3S
Smiles	[O-][N+](c1ccc(/C=C/C(Nc2nnc(C3CCCCC3)s2)=O)cc1)=O
InChI	InChI=1S/C17H18N4O3S/c22-15(11-8-12-6-9-14(10-7-12)21(23)24)18-17-20-19-16(25-17)13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H,18,20,22)
InChIK	UWWUTNMOWMHOPR-UHFFFAOYSA-N
TotalMolweight	358.421
Molweight	358.421
MonoisotopicMass	358.109961
CLogP	3.1945
CLogS	-4.932
H Acceptors	7
H Donors	1
TotalSurfaceArea	273.66
Relative PSA	0.35526
PolarSurfaceArea	128.94
Druglikeness	-7.3448
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.68
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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