[(E)-[amino-(3-bromophenyl)methylidene]amino] 4-phenoxybutanoate

Formula:C17H17N2O3Br Mutagenic:high Tumorigenic:none Reproductive Effective:low [(E)-[amino-(3-bromophenyl)methylidene]amino] 4-phenoxybutanoate is a drug-like molecule.

MolName	[(E)-[amino-(3-bromophenyl)methylidene]amino] 4-phenoxybutanoate
MolecularFormula	C17H17N2O3Br
Smiles	N/C(/c1cccc(Br)c1)=N/OC(CCCOc1ccccc1)=O
InChI	InChI=1S/C17H17BrN2O3/c18-14-7-4-6-13(12-14)17(19)20-23-16(21)10-5-11-22-15-8-2-1-3-9-15/h1-4,6-9,12H,5,10-11H2,(H2,19,20)
InChIK	KVNPXDSQQHXYPR-UHFFFAOYSA-N
TotalMolweight	377.237
Molweight	377.237
MonoisotopicMass	376.042254
CLogP	4.281
CLogS	-4.69
H Acceptors	5
H Donors	1
TotalSurfaceArea	262.17
Relative PSA	0.22817
PolarSurfaceArea	73.91
Druglikeness	-10.627
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
StereoCon

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