1-[(E)-3-bromoprop-2-enyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea

Formula:C14H17N2OBr Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(E)-3-bromoprop-2-enyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is a drug-like molecule.

MolName	1-[(E)-3-bromoprop-2-enyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
MolecularFormula	C14H17N2OBr
Smiles	O=C(NC/C=C/Br)NC(CCC1)c2c1cccc2
InChI	InChI=1S/C14H17BrN2O/c15-9-4-10-16-14(18)17-13-8-3-6-11-5-1-2-7-12(11)13/h1-2,4-5,7,9,13H,3,6,8,10H2,(H2,16,17,18)/t13-/m0/s1
InChIK	AZOOAXBXLUHOCJ-ZDUSSCGKSA-N
TotalMolweight	309.206
Molweight	309.206
MonoisotopicMass	308.052424
CLogP	2.7593
CLogS	-3.672
H Acceptors	3
H Donors	2
TotalSurfaceArea	213.1
Relative PSA	0.16875
PolarSurfaceArea	41.13
Druglikeness	-2.4003
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
StereoCenters	1
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	5
Amides	2
StereoCon	racemate

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