2-[(E)-2-(benzylamino)-1-nitroethenyl]benzene-1,4-diol

Formula:C15H14N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-(benzylamino)-1-nitroethenyl]benzene-1,4-diol is a drug-like molecule.

MolName	2-[(E)-2-(benzylamino)-1-nitroethenyl]benzene-1,4-diol
MolecularFormula	C15H14N2O4
Smiles	[O-][N+](/C(/c(cc(cc1)O)c1O)=C/NCc1ccccc1)=O
InChI	InChI=1S/C15H14N2O4/c18-12-6-7-15(19)13(8-12)14(17(20)21)10-16-9-11-4-2-1-3-5-11/h1-8,10,16,18-19H,9H2
InChIK	NPSRMRWMLLJDIC-UHFFFAOYSA-N
TotalMolweight	286.286
Molweight	286.286
MonoisotopicMass	286.095358
CLogP	0.7451
CLogS	-2.882
H Acceptors	6
H Donors	3
TotalSurfaceArea	219.32
Relative PSA	0.31041
PolarSurfaceArea	98.31
Druglikeness	-5.1596
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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