1-[(Z)-2,3-dibromoprop-2-enyl]-3-quinolin-3-ylurea

Formula:C13H11N3OBr2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 1-[(Z)-2,3-dibromoprop-2-enyl]-3-quinolin-3-ylurea is a drug-like molecule.

MolName	1-[(Z)-2,3-dibromoprop-2-enyl]-3-quinolin-3-ylurea
MolecularFormula	C13H11N3OBr2
Smiles	O=C(NC/C(/Br)=C/Br)Nc1cc2ccccc2nc1
InChI	InChI=1S/C13H11Br2N3O/c14-6-10(15)7-17-13(19)18-11-5-9-3-1-2-4-12(9)16-8-11/h1-6,8H,7H2,(H2,17,18,19)
InChIK	WMMCKORFWLQKGZ-UHFFFAOYSA-N
TotalMolweight	385.058
Molweight	385.058
MonoisotopicMass	382.926884
CLogP	2.9304
CLogS	-4.735
H Acceptors	4
H Donors	2
TotalSurfaceArea	223.02
Relative PSA	0.21043
PolarSurfaceArea	54.02
Druglikeness	-4.2163
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	1,2-dihalo-alkene
Shape Index	0.68421
Fragments	1
Non HAtoms	19
NonCHAtoms	6
Electronegative Atoms	6
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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