4-[(7E)-3-(4-nitrophenyl)-7-[(4-nitrophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-oxobutanoic acid

Formula:C24H22N4O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(7E)-3-(4-nitrophenyl)-7-[(4-nitrophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-oxobutanoic acid is not a drug-like molecule.

MolName	4-[(7E)-3-(4-nitrophenyl)-7-[(4-nitrophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-oxobutanoic acid
MolecularFormula	C24H22N4O7
Smiles	[O-][N+](c1ccc(C(C2CCC3)N(C(CCC(O)=O)=O)N=C2/C3=C/c(cc2)ccc2[N+]([O-])=O)cc1)=O
InChI	InChI=1S/C24H22N4O7/c29-21(12-13-22(30)31)26-24(16-6-10-19(11-7-16)28(34)35)20-3-1-2-17(23(20)25-26)14-15-4-8-18(9-5-15)27(32)33/h4-11,14,20,24H,1-3,12-13H2,(H,30,31)
InChIK	CAHQPCBBYHCAHB-UHFFFAOYSA-N
TotalMolweight	478.46
Molweight	478.46
MonoisotopicMass	478.148851
CLogP	2.202
CLogS	-5.337
H Acceptors	11
H Donors	1
TotalSurfaceArea	346.99
Relative PSA	0.33165
PolarSurfaceArea	161.61
Druglikeness	-4.4296
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48571
Fragments	1
Non HAtoms	35
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	2
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	4
AcidicOxygens	3
StereoCon	unknown chirality

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1 - 4-[(7E)-3-(4-nitrophenyl)-7-[(4-nitrophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-oxobutanoic acid | 2 - 4-[(7E)-3-(4-nitrophenyl)-7-[(4-nitrophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-oxobutanoic acid

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