(4Z)-N-(4-bromophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide

Formula:C16H18NOBr Mutagenic:none Tumorigenic:high Reproductive Effective:none (4Z)-N-(4-bromophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide is a drug-like molecule.

MolName	(4Z)-N-(4-bromophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
MolecularFormula	C16H18NOBr
Smiles	O=C(C1C2C1CC/C=C\CC2)Nc(cc1)ccc1Br
InChI	InChI=1S/C16H18BrNO/c17-11-7-9-12(10-8-11)18-16(19)15-13-5-3-1-2-4-6-14(13)15/h1-2,7-10,13-15H,3-6H2,(H,18,19)
InChIK	NVXYQEIQUDSTGK-UHFFFAOYSA-N
TotalMolweight	320.229
Molweight	320.229
MonoisotopicMass	319.057175
CLogP	4.4422
CLogS	-4.566
H Acceptors	2
H Donors	1
TotalSurfaceArea	213.14
Relative PSA	0.11495
PolarSurfaceArea	29.1
Druglikeness	-4.3635
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63158
Fragments	1
Non HAtoms	19
NonCHAtoms	3
Electronegative Atoms	3
StereoCenters	2
Rotatable Bond	2
Rings Closures	3
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Symmetricatoms	6
Amides	1
StereoCon	unknown chirality

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