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

Formula:C24H24N2O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-oxobutanoic acid is a drug-like molecule.

MolName	4-[(7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-oxobutanoic acid
MolecularFormula	C24H24N2O3
Smiles	OC(CCC(N(C(C1CCC2)c3ccccc3)N=C1/C2=C/c1ccccc1)=O)=O
InChI	InChI=1S/C24H24N2O3/c27-21(14-15-22(28)29)26-24(18-10-5-2-6-11-18)20-13-7-12-19(23(20)25-26)16-17-8-3-1-4-9-17/h1-6,8-11,16,20,24H,7,12-15H2,(H,28,29)
InChIK	CPZAAQIZPWFUCI-UHFFFAOYSA-N
TotalMolweight	388.466
Molweight	388.466
MonoisotopicMass	388.178693
CLogP	4.0452
CLogS	-4.417
H Acceptors	5
H Donors	1
TotalSurfaceArea	299.65
Relative PSA	0.18101
PolarSurfaceArea	69.97
Druglikeness	0.56578
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	2
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	4
AcidicOxygens	1
StereoCon	unknown chirality

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