2-hydroxy-N-[(Z)-[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl]methylideneamino]benzamide

Formula:C21H13N5O6S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-hydroxy-N-[(Z)-[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl]methylideneamino]benzamide is not a drug-like molecule.

MolName	2-hydroxy-N-[(Z)-[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl]methylideneamino]benzamide
MolecularFormula	C21H13N5O6S2
Smiles	[O-][N+](c(cc1)cc2c1nc(Sc(ccc(/C=N\NC(c(cccc1)c1O)=O)c1)c1[N+]([O-])=O)s2)=O
InChI	InChI=1S/C21H13N5O6S2/c27-17-4-2-1-3-14(17)20(28)24-22-11-12-5-8-18(16(9-12)26(31)32)33-21-23-15-7-6-13(25(29)30)10-19(15)34-21/h1-11,27H,(H,24,28)
InChIK	RPXZBSGQROYQLF-UHFFFAOYSA-N
TotalMolweight	495.495
Molweight	495.495
MonoisotopicMass	495.030725
CLogP	3.3357
CLogS	-6.967
H Acceptors	11
H Donors	2
TotalSurfaceArea	347.23
Relative PSA	0.45725
PolarSurfaceArea	219.76
Druglikeness	-0.52872
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.58824
Fragments	1
Non HAtoms	34
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	4
Aromatic Nitrogens	1
AcidicOxygens	2
StereoCon

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