3-morpholin-4-ylsulfonyl-N'-[1-(3-nitrophenyl)ethenyl]benzohydrazide

Formula:C19H20N4O6S Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-morpholin-4-ylsulfonyl-N'-[1-(3-nitrophenyl)ethenyl]benzohydrazide is a drug-like molecule.

MolName3-morpholin-4-ylsulfonyl-N'-[1-(3-nitrophenyl)ethenyl]benzohydrazide
MolecularFormulaC19H20N4O6S
SmilesC=C(c1cc([N+]([O-])=O)ccc1)NNC(c1cccc(S(N2CCOCC2)(=O)=O)c1)=O
InChIInChI=1S/C19H20N4O6S/c1-14(15-4-2-6-17(12-15)23(25)26)20-21-19(24)16-5-3-7-18(13-16)30(27,28)22-8-10-29-11-9-22/h2-7,12-13,20H,1,8-11H2,(H,21,24)
InChIKMPKDSKMDPSKELC-UHFFFAOYSA-N
TotalMolweight432.456
Molweight432.456
MonoisotopicMass432.110356
CLogP0.2515
CLogS-3.301
H Acceptors10
H Donors2
TotalSurfaceArea310.53
Relative PSA0.34943
PolarSurfaceArea141.94
Druglikeness-9.458
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro
Shape Index0.56667
Fragments1
Non HAtoms30
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms8
Symmetricatoms3
Amides1
AcidicOxygens1
StereoCon

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