3-(2,3-dihydroindol-1-ylsulfonyl)-N'-(4-nitrobenzoyl)benzohydrazide

Formula:C22H18N4O6S Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(2,3-dihydroindol-1-ylsulfonyl)-N'-(4-nitrobenzoyl)benzohydrazide is a drug-like molecule.

MolName	3-(2,3-dihydroindol-1-ylsulfonyl)-N'-(4-nitrobenzoyl)benzohydrazide
MolecularFormula	C22H18N4O6S
Smiles	[O-][N+](c(cc1)ccc1C(NNC(c1cccc(S(N(CC2)c3c2cccc3)(=O)=O)c1)=O)=O)=O
InChI	InChI=1S/C22H18N4O6S/c27-21(16-8-10-18(11-9-16)26(29)30)23-24-22(28)17-5-3-6-19(14-17)33(31,32)25-13-12-15-4-1-2-7-20(15)25/h1-11,14H,12-13H2,(H,23,27)(H,24,28)
InChIK	WLJWUKJGMKNNLX-UHFFFAOYSA-N
TotalMolweight	466.473
Molweight	466.473
MonoisotopicMass	466.094706
CLogP	1.3126
CLogS	-5.562
H Acceptors	10
H Donors	2
TotalSurfaceArea	327.77
Relative PSA	0.34033
PolarSurfaceArea	149.78
Druglikeness	-12.028
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	3
Amides	1
AcidicOxygens	1
StereoCon

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