[(E)-[1-amino-2-(3,4-dichlorophenyl)ethylidene]amino] 5-bromofuran-2-carboxylate

Formula:C13H9N2O3BrCl2 Mutagenic:high Tumorigenic:none Reproductive Effective:none [(E)-[1-amino-2-(3,4-dichlorophenyl)ethylidene]amino] 5-bromofuran-2-carboxylate is a drug-like molecule.

MolName	[(E)-[1-amino-2-(3,4-dichlorophenyl)ethylidene]amino] 5-bromofuran-2-carboxylate
MolecularFormula	C13H9N2O3BrCl2
Smiles	N/C(/Cc(cc1)cc(Cl)c1Cl)=N/OC(c(o1)ccc1Br)=O
InChI	InChI=1S/C13H9BrCl2N2O3/c14-11-4-3-10(20-11)13(19)21-18-12(17)6-7-1-2-8(15)9(16)5-7/h1-5H,6H2,(H2,17,18)
InChIK	LSLFGRJAKJKTSW-UHFFFAOYSA-N
TotalMolweight	392.035
Molweight	392.035
MonoisotopicMass	389.917358
CLogP	4.2935
CLogS	-5.252
H Acceptors	5
H Donors	1
TotalSurfaceArea	245.18
Relative PSA	0.26075
PolarSurfaceArea	77.82
Druglikeness	-4.0659
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	21
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
StereoCon

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