[(E)-(2-oxo-1-phenylindol-3-ylidene)amino] 3,4-dichlorobenzoate

Formula:C21H12N2O3Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-(2-oxo-1-phenylindol-3-ylidene)amino] 3,4-dichlorobenzoate is not a drug-like molecule.

MolName	[(E)-(2-oxo-1-phenylindol-3-ylidene)amino] 3,4-dichlorobenzoate
MolecularFormula	C21H12N2O3Cl2
Smiles	O=C(c(cc1)cc(Cl)c1Cl)O/N=C(\c(cccc1)c1N1c2ccccc2)/C1=O
InChI	InChI=1S/C21H12Cl2N2O3/c22-16-11-10-13(12-17(16)23)21(27)28-24-19-15-8-4-5-9-18(15)25(20(19)26)14-6-2-1-3-7-14/h1-12H
InChIK	AICDYSDEWVONIU-UHFFFAOYSA-N
TotalMolweight	411.243
Molweight	411.243
MonoisotopicMass	410.022497
CLogP	5.9301
CLogS	-7.487
H Acceptors	5
TotalSurfaceArea	288.89
Relative PSA	0.17702
PolarSurfaceArea	58.97
Druglikeness	0.88311
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	2
Amides	1
StereoCon

Click to Load Molecule:

1 - [(E)-(2-oxo-1-phenylindol-3-ylidene)amino] 3,4-dichlorobenzoate | 2 - [(E)-(2-oxo-1-phenylindol-3-ylidene)amino] 3,4-dichlorobenzoate

Request More Details | [(E)-(2-oxo-1-phenylindol-3-ylidene)amino] 3,4-dichlorobenzoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments