4-[(5Z)-5-[(2,4-dinitrophenyl)hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-yl]butanoic acid

Formula:C20H20N4O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(5Z)-5-[(2,4-dinitrophenyl)hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-yl]butanoic acid is a drug-like molecule.

MolName	4-[(5Z)-5-[(2,4-dinitrophenyl)hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-yl]butanoic acid
MolecularFormula	C20H20N4O6
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(/CCC1)\c2c1cc(CCCC(O)=O)cc2)=O
InChI	InChI=1S/C20H20N4O6/c25-20(26)6-1-3-13-7-9-16-14(11-13)4-2-5-17(16)21-22-18-10-8-15(23(27)28)12-19(18)24(29)30/h7-12,22H,1-6H2,(H,25,26)
InChIK	KDOFTLUPWWYISN-UHFFFAOYSA-N
TotalMolweight	412.401
Molweight	412.401
MonoisotopicMass	412.138286
CLogP	4.0624
CLogS	-5.536
H Acceptors	10
H Donors	2
TotalSurfaceArea	307.95
Relative PSA	0.35704
PolarSurfaceArea	153.33
Druglikeness	-8.5082
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
AcidicOxygens	3
StereoCon

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