[(7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-(2-chloro-5-nitrophenyl)methanone

Formula:C27H22N3O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none [(7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-(2-chloro-5-nitrophenyl)methanone is not a drug-like molecule.

MolName	[(7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-(2-chloro-5-nitrophenyl)methanone
MolecularFormula	C27H22N3O3Cl
Smiles	[O-][N+](c(cc1)cc(C(N(C(C2CCC3)c4ccccc4)N=C2/C3=C/c2ccccc2)=O)c1Cl)=O
InChI	InChI=1S/C27H22ClN3O3/c28-24-15-14-21(31(33)34)17-23(24)27(32)30-26(19-10-5-2-6-11-19)22-13-7-12-20(25(22)29-30)16-18-8-3-1-4-9-18/h1-6,8-11,14-17,22,26H,7,12-13H2
InChIK	LBYINOQZSAXNKO-UHFFFAOYSA-N
TotalMolweight	471.943
Molweight	471.943
MonoisotopicMass	471.134969
CLogP	5.5409
CLogS	-6.768
H Acceptors	6
TotalSurfaceArea	346.88
Relative PSA	0.1687
PolarSurfaceArea	78.49
Druglikeness	-4.3169
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	aromatic nitro
Shape Index	0.44118
Fragments	1
Non HAtoms	34
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	2
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	4
AcidicOxygens	1
StereoCon	unknown chirality

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