(E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1-[5-(3,4-dichlorophenyl)furan-2-yl]prop-2-en-1-one

Formula:C28H17N2O2Cl3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1-[5-(3,4-dichlorophenyl)furan-2-yl]prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1-[5-(3,4-dichlorophenyl)furan-2-yl]prop-2-en-1-one
MolecularFormula	C28H17N2O2Cl3
Smiles	O=C(/C=C/c1cn(-c2ccccc2)nc1-c(cc1)ccc1Cl)c1ccc(-c(cc2)cc(Cl)c2Cl)o1
InChI	InChI=1S/C28H17Cl3N2O2/c29-21-10-6-18(7-11-21)28-20(17-33(32-28)22-4-2-1-3-5-22)9-13-25(34)27-15-14-26(35-27)19-8-12-23(30)24(31)16-19/h1-17H
InChIK	BJBYJRCXIMVYTR-UHFFFAOYSA-N
TotalMolweight	519.814
Molweight	519.814
MonoisotopicMass	518.035559
CLogP	6.9797
CLogS	-9.021
H Acceptors	4
TotalSurfaceArea	380.46
Relative PSA	0.11825
PolarSurfaceArea	48.03
Druglikeness	4.6817
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	28
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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