ethyl 2-[3-[[1-(3-chlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]indol-1-yl]acetate

Formula:C23H20N3O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none ethyl 2-[3-[[1-(3-chlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]indol-1-yl]acetate is a drug-like molecule.

MolName	ethyl 2-[3-[[1-(3-chlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]indol-1-yl]acetate
MolecularFormula	C23H20N3O3Cl
Smiles	CCOC(Cn1c(cccc2)c2c(C=C(C(C)=NN2c3cccc(Cl)c3)C2=O)c1)=O
InChI	InChI=1S/C23H20ClN3O3/c1-3-30-22(28)14-26-13-16(19-9-4-5-10-21(19)26)11-20-15(2)25-27(23(20)29)18-8-6-7-17(24)12-18/h4-13H,3,14H2,1-2H3
InChIK	INXZLCSADCJNFG-UHFFFAOYSA-N
TotalMolweight	421.883
Molweight	421.883
MonoisotopicMass	421.119319
CLogP	4.1559
CLogS	-4.269
H Acceptors	6
TotalSurfaceArea	314.26
Relative PSA	0.18459
PolarSurfaceArea	63.9
Druglikeness	0.46623
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	5
Aromatic Nitrogens	1
StereoCon

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1 - ethyl 2-[3-[[1-(3-chlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]indol-1-yl]acetate | 2 - ethyl 2-[3-[[1-(3-chlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]indol-1-yl]acetate

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