(E)-N-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]-3-(3-nitrophenyl)prop-2-enamide

Formula:C20H14N5O3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]-3-(3-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]-3-(3-nitrophenyl)prop-2-enamide
MolecularFormula	C20H14N5O3ClS
Smiles	N#Cc1c(NC(/C=C/c2cc([N+]([O-])=O)ccc2)=O)[nH]nc1SCc(cccc1)c1Cl
InChI	InChI=1S/C20H14ClN5O3S/c21-17-7-2-1-5-14(17)12-30-20-16(11-22)19(24-25-20)23-18(27)9-8-13-4-3-6-15(10-13)26(28)29/h1-10H,12H2,(H2,23,24,25,27)
InChIK	WDIQZRAZSWYJSW-UHFFFAOYSA-N
TotalMolweight	439.882
Molweight	439.882
MonoisotopicMass	439.050587
CLogP	2.9601
CLogS	-6.757
H Acceptors	8
H Donors	2
TotalSurfaceArea	328.87
Relative PSA	0.33731
PolarSurfaceArea	152.69
Druglikeness	-6.6581
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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