3-[(E)-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol

Formula:C16H12N4O3S Mutagenic:none Tumorigenic:high Reproductive Effective:none 3-[(E)-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol is a drug-like molecule.

MolName	3-[(E)-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
MolecularFormula	C16H12N4O3S
Smiles	[O-][N+](c1cccc(-c2csc(N/N=C/c3cc(O)ccc3)n2)c1)=O
InChI	InChI=1S/C16H12N4O3S/c21-14-6-1-3-11(7-14)9-17-19-16-18-15(10-24-16)12-4-2-5-13(8-12)20(22)23/h1-10,21H,(H,18,19)
InChIK	CVGPNVWUBSDWKD-UHFFFAOYSA-N
TotalMolweight	340.362
Molweight	340.362
MonoisotopicMass	340.063011
CLogP	4.7787
CLogS	-4.824
H Acceptors	7
H Donors	2
TotalSurfaceArea	253.72
Relative PSA	0.38554
PolarSurfaceArea	131.57
Druglikeness	-1.3007
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Aromatic Nitrogens	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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