[(E)-[1-amino-2-(3,4-dichlorophenyl)ethylidene]amino] 4-iodobenzoate

Formula:C15H11N2O2Cl2I Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[1-amino-2-(3,4-dichlorophenyl)ethylidene]amino] 4-iodobenzoate is a drug-like molecule.

MolName	[(E)-[1-amino-2-(3,4-dichlorophenyl)ethylidene]amino] 4-iodobenzoate
MolecularFormula	C15H11N2O2Cl2I
Smiles	N/C(/Cc(cc1)cc(Cl)c1Cl)=N/OC(c(cc1)ccc1I)=O
InChI	InChI=1S/C15H11Cl2IN2O2/c16-12-6-1-9(7-13(12)17)8-14(19)20-22-15(21)10-2-4-11(18)5-3-10/h1-7H,8H2,(H2,19,20)
InChIK	UXHPPTZFTJNSLI-UHFFFAOYSA-N
TotalMolweight	449.07
Molweight	449.07
MonoisotopicMass	447.92423
CLogP	4.7193
CLogS	-5.989
H Acceptors	4
H Donors	1
TotalSurfaceArea	263.14
Relative PSA	0.18933
PolarSurfaceArea	64.68
Druglikeness	-2.1295
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68182
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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