5-chloro-1-[(2-chlorophenyl)methyl]-3-[2-[(3Z)-3-(furan-2-ylmethylidene)-2-oxocyclohexyl]-2-oxoethyl]-3-hydroxyindol-2-one

Formula:C28H23NO5Cl2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 5-chloro-1-[(2-chlorophenyl)methyl]-3-[2-[(3Z)-3-(furan-2-ylmethylidene)-2-oxocyclohexyl]-2-oxoethyl]-3-hydroxyindol-2-one is not a drug-like molecule.

MolName	5-chloro-1-[(2-chlorophenyl)methyl]-3-[2-[(3Z)-3-(furan-2-ylmethylidene)-2-oxocyclohexyl]-2-oxoethyl]-3-hydroxyindol-2-one
MolecularFormula	C28H23NO5Cl2
Smiles	OC(CC(C(CCC/C1=C/c2ccco2)C1=O)=O)(c(cc(cc1)Cl)c1N1Cc(cccc2)c2Cl)C1=O
InChI	InChI=1S/C28H23Cl2NO5/c29-19-10-11-24-22(14-19)28(35,27(34)31(24)16-18-5-1-2-9-23(18)30)15-25(32)21-8-3-6-17(26(21)33)13-20-7-4-12-36-20/h1-2,4-5,7,9-14,21,35H,3,6,8,15-16H2
InChIK	LNWFOZSQLNZJSJ-UHFFFAOYSA-N
TotalMolweight	524.399
Molweight	524.399
MonoisotopicMass	523.095328
CLogP	4.8513
CLogS	-6.89
H Acceptors	6
H Donors	1
TotalSurfaceArea	372.63
Relative PSA	0.18753
PolarSurfaceArea	87.82
Druglikeness	2.5061
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.47222
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	2
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	8
Amides	1
StereoCon	unknown chirality

Click to Load Molecule:

1 - 5-chloro-1-[(2-chlorophenyl)methyl]-3-[2-[(3Z)-3-(furan-2-ylmethylidene)-2-oxocyclohexyl]-2-oxoethyl]-3-hydroxyindol-2-one | 2 - 5-chloro-1-[(2-chlorophenyl)methyl]-3-[2-[(3Z)-3-(furan-2-ylmethylidene)-2-oxocyclohexyl]-2-oxoethyl]-3-hydroxyindol-2-one

Request More Details | 5-chloro-1-[(2-chlorophenyl)methyl]-3-[2-[(3Z)-3-(furan-2-ylmethylidene)-2-oxocyclohexyl]-2-oxoethyl]-3-hydroxyindol-2-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments