N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline

Formula:C19H20N4O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline is a drug-like molecule.

MolName	N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
MolecularFormula	C19H20N4O5S
Smiles	[O-][N+](c(cc1)cc(S(N2CCOCC2)(=O)=O)c1N/N=C(/CC1)\c2c1cccc2)=O
InChI	InChI=1S/C19H20N4O5S/c24-23(25)15-6-8-18(19(13-15)29(26,27)22-9-11-28-12-10-22)21-20-17-7-5-14-3-1-2-4-16(14)17/h1-4,6,8,13,21H,5,7,9-12H2
InChIK	QCAVVKYFTAPDRA-UHFFFAOYSA-N
TotalMolweight	416.457
Molweight	416.457
MonoisotopicMass	416.115441
CLogP	3.2928
CLogS	-3.494
H Acceptors	9
H Donors	1
TotalSurfaceArea	295.56
Relative PSA	0.32318
PolarSurfaceArea	125.2
Druglikeness	-4.8182
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	3
Amides	1
AcidicOxygens	1
StereoCon

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