1-[(Z)-2,3-dibromoprop-2-enyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

Formula:C14H16N2OBr2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 1-[(Z)-2,3-dibromoprop-2-enyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea is a drug-like molecule.

MolName	1-[(Z)-2,3-dibromoprop-2-enyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
MolecularFormula	C14H16N2OBr2
Smiles	O=C(NC/C(/Br)=C/Br)Nc1c(CCCC2)c2ccc1
InChI	InChI=1S/C14H16Br2N2O/c15-8-11(16)9-17-14(19)18-13-7-3-5-10-4-1-2-6-12(10)13/h3,5,7-8H,1-2,4,6,9H2,(H2,17,18,19)
InChIK	NJNSVRZJJCYTBL-UHFFFAOYSA-N
TotalMolweight	388.102
Molweight	388.102
MonoisotopicMass	385.962935
CLogP	3.7712
CLogS	-5.121
H Acceptors	3
H Donors	2
TotalSurfaceArea	231.2
Relative PSA	0.15554
PolarSurfaceArea	41.13
Druglikeness	-9.559
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	1,2-dihalo-alkene
Shape Index	0.63158
Fragments	1
Non HAtoms	19
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	5
Amides	2
StereoCon

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