naphthalen-1-yl N-[(E)-3-bromoprop-2-enyl]carbamate

Formula:C14H12NO2Br Mutagenic:none Tumorigenic:none Reproductive Effective:none naphthalen-1-yl N-[(E)-3-bromoprop-2-enyl]carbamate is a drug-like molecule.

MolName	naphthalen-1-yl N-[(E)-3-bromoprop-2-enyl]carbamate
MolecularFormula	C14H12NO2Br
Smiles	O=C(NC/C=C/Br)Oc1cccc2ccccc12
InChI	InChI=1S/C14H12BrNO2/c15-9-4-10-16-14(17)18-13-8-3-6-11-5-1-2-7-12(11)13/h1-9H,10H2,(H,16,17)
InChIK	YBQHXZYFNQJVSL-UHFFFAOYSA-N
TotalMolweight	306.158
Molweight	306.158
MonoisotopicMass	305.00514
CLogP	3.4992
CLogS	-4.76
H Acceptors	3
H Donors	1
TotalSurfaceArea	205.96
Relative PSA	0.16751
PolarSurfaceArea	38.33
Druglikeness	-13.469
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	18
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	2
Amides	1
StereoCon

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