3-chloro-1-(3,5-dimethylphenyl)-4-(2-hydroxyanilino)pyrrole-2,5-dione

Formula:C18H15N2O3Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-chloro-1-(3,5-dimethylphenyl)-4-(2-hydroxyanilino)pyrrole-2,5-dione is a drug-like molecule.

MolName	3-chloro-1-(3,5-dimethylphenyl)-4-(2-hydroxyanilino)pyrrole-2,5-dione
MolecularFormula	C18H15N2O3Cl
Smiles	Cc1cc(N(C(C(Nc(cccc2)c2O)=C2Cl)=O)C2=O)cc(C)c1
InChI	InChI=1S/C18H15ClN2O3/c1-10-7-11(2)9-12(8-10)21-17(23)15(19)16(18(21)24)20-13-5-3-4-6-14(13)22/h3-9,20,22H,1-2H3
InChIK	LSHSWNXQJQGZLR-UHFFFAOYSA-N
TotalMolweight	342.781
Molweight	342.781
MonoisotopicMass	342.07712
CLogP	2.6668
CLogS	-4.587
H Acceptors	5
H Donors	2
TotalSurfaceArea	245.99
Relative PSA	0.22029
PolarSurfaceArea	69.64
Druglikeness	1.7914
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	2-halo-enone; 3-halo-enone
Shape Index	0.5
Fragments	1
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	3
Amides	1
StereoCon

Click to Load Molecule:

1 - 3-chloro-1-(3,5-dimethylphenyl)-4-(2-hydroxyanilino)pyrrole-2,5-dione | 2 - 3-chloro-1-(3,5-dimethylphenyl)-4-(2-hydroxyanilino)pyrrole-2,5-dione

Request More Details | 3-chloro-1-(3,5-dimethylphenyl)-4-(2-hydroxyanilino)pyrrole-2,5-dione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments