[2-[(Z)-1,2,4-triazol-4-yliminomethyl]phenyl] 2-nitrobenzenesulfonate

Formula:C15H11N5O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[(Z)-1,2,4-triazol-4-yliminomethyl]phenyl] 2-nitrobenzenesulfonate is a drug-like molecule.

MolName	[2-[(Z)-1,2,4-triazol-4-yliminomethyl]phenyl] 2-nitrobenzenesulfonate
MolecularFormula	C15H11N5O5S
Smiles	[O-][N+](c(cccc1)c1S(Oc1c(/C=N\n2cnnc2)cccc1)(=O)=O)=O
InChI	InChI=1S/C15H11N5O5S/c21-20(22)13-6-2-4-8-15(13)26(23,24)25-14-7-3-1-5-12(14)9-18-19-10-16-17-11-19/h1-11H
InChIK	XAEXPOSAUPSWDR-UHFFFAOYSA-N
TotalMolweight	373.348
Molweight	373.348
MonoisotopicMass	373.04809
CLogP	1.1856
CLogS	-5.544
H Acceptors	10
TotalSurfaceArea	266.51
Relative PSA	0.41019
PolarSurfaceArea	140.64
Druglikeness	-4.0639
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	3
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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