1-[(E)-3-bromoprop-2-enyl]-3-quinolin-3-ylurea

Formula:C13H12N3OBr Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(E)-3-bromoprop-2-enyl]-3-quinolin-3-ylurea is a drug-like molecule.

MolName	1-[(E)-3-bromoprop-2-enyl]-3-quinolin-3-ylurea
MolecularFormula	C13H12N3OBr
Smiles	O=C(NC/C=C/Br)Nc1cc2ccccc2nc1
InChI	InChI=1S/C13H12BrN3O/c14-6-3-7-15-13(18)17-11-8-10-4-1-2-5-12(10)16-9-11/h1-6,8-9H,7H2,(H2,15,17,18)
InChIK	FLBYEMCMKHMZTI-UHFFFAOYSA-N
TotalMolweight	306.162
Molweight	306.162
MonoisotopicMass	305.016373
CLogP	2.3378
CLogS	-3.902
H Acceptors	4
H Donors	2
TotalSurfaceArea	206.18
Relative PSA	0.22762
PolarSurfaceArea	54.02
Druglikeness	-0.72575
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.72222
Fragments	1
Non HAtoms	18
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	1
Amides	2
Aromatic Nitrogens	1
StereoCon

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