N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine

Formula:C17H18N3OBr Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine is a drug-like molecule.

MolName	N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine
MolecularFormula	C17H18N3OBr
Smiles	Brc(cc1)ccc1-c1ccc(/C=N\NC2=NCCCCC2)o1
InChI	InChI=1S/C17H18BrN3O/c18-14-7-5-13(6-8-14)16-10-9-15(22-16)12-20-21-17-4-2-1-3-11-19-17/h5-10,12H,1-4,11H2,(H,19,21)
InChIK	CZESFMGWHHQIPT-UHFFFAOYSA-N
TotalMolweight	360.254
Molweight	360.254
MonoisotopicMass	359.063323
CLogP	4.1477
CLogS	-5.827
H Acceptors	4
H Donors	1
TotalSurfaceArea	255.83
Relative PSA	0.18993
PolarSurfaceArea	49.89
Druglikeness	-1.4123
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.68182
Fragments	1
Non HAtoms	22
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Symmetricatoms	2
BasicNitrogens	1
StereoCon

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1 - N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine | 2 - N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine

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