[(E)-[amino-(4-chlorophenyl)methylidene]amino] 4-(1,3-dioxoisoindol-2-yl)butanoate

Formula:C19H16N3O4Cl Mutagenic:high Tumorigenic:none Reproductive Effective:low [(E)-[amino-(4-chlorophenyl)methylidene]amino] 4-(1,3-dioxoisoindol-2-yl)butanoate is a drug-like molecule.

MolName	[(E)-[amino-(4-chlorophenyl)methylidene]amino] 4-(1,3-dioxoisoindol-2-yl)butanoate
MolecularFormula	C19H16N3O4Cl
Smiles	N/C(/c(cc1)ccc1Cl)=N/OC(CCCN(C(c1c2cccc1)=O)C2=O)=O
InChI	InChI=1S/C19H16ClN3O4/c20-13-9-7-12(8-10-13)17(21)22-27-16(24)6-3-11-23-18(25)14-4-1-2-5-15(14)19(23)26/h1-2,4-5,7-10H,3,6,11H2,(H2,21,22)
InChIK	ZEGWYMZLIHCZMM-UHFFFAOYSA-N
TotalMolweight	385.806
Molweight	385.806
MonoisotopicMass	385.082934
CLogP	3.5658
CLogS	-4.583
H Acceptors	7
H Donors	1
TotalSurfaceArea	281.26
Relative PSA	0.28248
PolarSurfaceArea	102.06
Druglikeness	-2.2363
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	7
Amides	1
StereoCon

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