1-cyclohexyl-3-[(Z)-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylideneamino]thiourea

Formula:C23H24N6O2S Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-cyclohexyl-3-[(Z)-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylideneamino]thiourea is a drug-like molecule.

MolName	1-cyclohexyl-3-[(Z)-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylideneamino]thiourea
MolecularFormula	C23H24N6O2S
Smiles	[O-][N+](c(cc1)ccc1-c(c(/C=N\NC(NC1CCCCC1)=S)c1)nn1-c1ccccc1)=O
InChI	InChI=1S/C23H24N6O2S/c30-29(31)21-13-11-17(12-14-21)22-18(16-28(27-22)20-9-5-2-6-10-20)15-24-26-23(32)25-19-7-3-1-4-8-19/h2,5-6,9-16,19H,1,3-4,7-8H2,(H2,25,26,32)
InChIK	RJOFVGHZRUOTKH-UHFFFAOYSA-N
TotalMolweight	448.55
Molweight	448.55
MonoisotopicMass	448.168144
CLogP	3.4366
CLogS	-6.361
H Acceptors	8
H Donors	2
TotalSurfaceArea	352.6
Relative PSA	0.31393
PolarSurfaceArea	132.15
Druglikeness	-6.1778
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	8
Symmetricatoms	6
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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