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

Formula:C35H27N5O4S Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-[(7E)-3-(4-nitrophenyl)-7-[(4-nitrophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-(4-phenylphenyl)-1,3-thiazole is not a drug-like molecule.

MolName	2-[(7E)-3-(4-nitrophenyl)-7-[(4-nitrophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-(4-phenylphenyl)-1,3-thiazole
MolecularFormula	C35H27N5O4S
Smiles	[O-][N+](c1ccc(C(C2CCC3)N(c4nc(-c(cc5)ccc5-c5ccccc5)cs4)N=C2/C3=C/c(cc2)ccc2[N+]([O-])=O)cc1)=O
InChI	InChI=1S/C35H27N5O4S/c41-39(42)29-17-9-23(10-18-29)21-28-7-4-8-31-33(28)37-38(34(31)27-15-19-30(20-16-27)40(43)44)35-36-32(22-45-35)26-13-11-25(12-14-26)24-5-2-1-3-6-24/h1-3,5-6,9-22,31,34H,4,7-8H2
InChIK	NRERLGVASAWBHW-UHFFFAOYSA-N
TotalMolweight	613.696
Molweight	613.696
MonoisotopicMass	613.178375
CLogP	7.3274
CLogS	-9.852
H Acceptors	9
TotalSurfaceArea	451.6
Relative PSA	0.23744
PolarSurfaceArea	148.37
Druglikeness	-3.6208
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48889
Fragments	1
Non HAtoms	45
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	2
Rotatable Bond	7
Rings Closures	7
Small Rings	7
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	7
Symmetricatoms	8
Aromatic Nitrogens	1
BasicNitrogens	1
AcidicOxygens	2
StereoCon	unknown chirality

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

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