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

Formula:C29H22N5O4BrS Mutagenic:none Tumorigenic:high Reproductive Effective:none 4-(4-bromophenyl)-2-[(7Z)-3-(3-nitrophenyl)-7-[(3-nitrophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-1,3-thiazole is not a drug-like molecule.

MolName	4-(4-bromophenyl)-2-[(7Z)-3-(3-nitrophenyl)-7-[(3-nitrophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-1,3-thiazole
MolecularFormula	C29H22N5O4BrS
Smiles	[O-][N+](c1cccc(C(C2CCC3)N(c4nc(-c(cc5)ccc5Br)cs4)N=C2/C3=C\c2cc([N+]([O-])=O)ccc2)c1)=O
InChI	InChI=1S/C29H22BrN5O4S/c30-22-12-10-19(11-13-22)26-17-40-29(31-26)33-28(21-6-2-8-24(16-21)35(38)39)25-9-3-5-20(27(25)32-33)14-18-4-1-7-23(15-18)34(36)37/h1-2,4,6-8,10-17,25,28H,3,5,9H2
InChIK	OLXHDERNBBFXMA-UHFFFAOYSA-N
TotalMolweight	616.495
Molweight	616.495
MonoisotopicMass	615.057586
CLogP	6.3934
CLogS	-8.6
H Acceptors	9
TotalSurfaceArea	410.47
Relative PSA	0.26124
PolarSurfaceArea	148.37
Druglikeness	-5.4108
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.45
Fragments	1
Non HAtoms	40
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	2
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	7
Symmetricatoms	2
Aromatic Nitrogens	1
BasicNitrogens	1
AcidicOxygens	2
StereoCon	unknown chirality

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

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