N'-[1-(3-nitrophenyl)ethenyl]-3-piperidin-1-ylsulfonylbenzohydrazide

Formula:C20H22N4O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none N'-[1-(3-nitrophenyl)ethenyl]-3-piperidin-1-ylsulfonylbenzohydrazide is a drug-like molecule.

MolName	N'-[1-(3-nitrophenyl)ethenyl]-3-piperidin-1-ylsulfonylbenzohydrazide
MolecularFormula	C20H22N4O5S
Smiles	C=C(c1cc([N+]([O-])=O)ccc1)NNC(c1cccc(S(N2CCCCC2)(=O)=O)c1)=O
InChI	InChI=1S/C20H22N4O5S/c1-15(16-7-5-9-18(13-16)24(26)27)21-22-20(25)17-8-6-10-19(14-17)30(28,29)23-11-3-2-4-12-23/h5-10,13-14,21H,1-4,11-12H2,(H,22,25)
InChIK	MUSXZYBWMMFATG-UHFFFAOYSA-N
TotalMolweight	430.484
Molweight	430.484
MonoisotopicMass	430.131091
CLogP	1.4155
CLogS	-4.19
H Acceptors	9
H Donors	2
TotalSurfaceArea	314.29
Relative PSA	0.31344
PolarSurfaceArea	132.71
Druglikeness	-10.56
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	3
Amides	1
AcidicOxygens	1
StereoCon

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