(7E)-3-(4-nitrophenyl)-7-[(4-nitrophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazole-2-carboxamide

Formula:C21H19N5O5 Mutagenic:none Tumorigenic:none Reproductive Effective:low (7E)-3-(4-nitrophenyl)-7-[(4-nitrophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazole-2-carboxamide is a drug-like molecule.

MolName	(7E)-3-(4-nitrophenyl)-7-[(4-nitrophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazole-2-carboxamide
MolecularFormula	C21H19N5O5
Smiles	NC(N(C(C1CCC2)c(cc3)ccc3[N+]([O-])=O)N=C1/C2=C/c(cc1)ccc1[N+]([O-])=O)=O
InChI	InChI=1S/C21H19N5O5/c22-21(27)24-20(14-6-10-17(11-7-14)26(30)31)18-3-1-2-15(19(18)23-24)12-13-4-8-16(9-5-13)25(28)29/h4-12,18,20H,1-3H2,(H2,22,27)
InChIK	WCYOCJHQNJEGLJ-UHFFFAOYSA-N
TotalMolweight	421.412
Molweight	421.412
MonoisotopicMass	421.13862
CLogP	1.947
CLogS	-5.585
H Acceptors	10
H Donors	1
TotalSurfaceArea	303.89
Relative PSA	0.34292
PolarSurfaceArea	150.33
Druglikeness	-4.1265
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	2
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	4
Amides	1
AcidicOxygens	2
StereoCon	unknown chirality

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