2-[(Z)-[(2,4-dichlorophenyl)carbamothioylhydrazinylidene]methyl]-4-nitrophenolate

Formula:C14H9N4O3Cl2S Mutagenic:high Tumorigenic:none Reproductive Effective:high 2-[(Z)-[(2,4-dichlorophenyl)carbamothioylhydrazinylidene]methyl]-4-nitrophenolate is a drug-like molecule.

MolName	2-[(Z)-[(2,4-dichlorophenyl)carbamothioylhydrazinylidene]methyl]-4-nitrophenolate
MolecularFormula	C14H9N4O3Cl2S
Smiles	[O-]c(cc1)c(/C=N\NC(Nc(ccc(Cl)c2)c2Cl)=S)cc1[N+]([O-])=O
InChI	InChI=1S/C14H10Cl2N4O3S/c15-9-1-3-12(11(16)6-9)18-14(24)19-17-7-8-5-10(20(22)23)2-4-13(8)21/h1-7,21H,(H2,18,19,24)/p-1
InChIK	CVBMRBHBZOHUCX-UHFFFAOYSA-M
TotalMolweight	384.222
Molweight	384.222
MonoisotopicMass	382.97724
CLogP	1.9589
CLogS	-5.957
H Acceptors	7
H Donors	2
TotalSurfaceArea	275.45
Relative PSA	0.38893
PolarSurfaceArea	137.39
Druglikeness	-2.9677
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
AcidicOxygens	1
StereoCon

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