[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 5-bromofuran-2-carboxylate

Formula:C17H13N2O3Br Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 5-bromofuran-2-carboxylate is a drug-like molecule.

MolName	[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 5-bromofuran-2-carboxylate
MolecularFormula	C17H13N2O3Br
Smiles	N/C(/Cc1cccc2ccccc12)=N/OC(c(o1)ccc1Br)=O
InChI	InChI=1S/C17H13BrN2O3/c18-15-9-8-14(22-15)17(21)23-20-16(19)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-9H,10H2,(H2,19,20)
InChIK	WGVWVFIDLMYAKZ-UHFFFAOYSA-N
TotalMolweight	373.205
Molweight	373.205
MonoisotopicMass	372.010954
CLogP	4.2759
CLogS	-5.386
H Acceptors	5
H Donors	1
TotalSurfaceArea	248.94
Relative PSA	0.25681
PolarSurfaceArea	77.82
Druglikeness	-4.145
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	2
StereoCon

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