1-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-cyclohexylurea

Formula:C16H20N3OBr Mutagenic:high Tumorigenic:low Reproductive Effective:none 1-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-cyclohexylurea is a drug-like molecule.

MolName	1-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-cyclohexylurea
MolecularFormula	C16H20N3OBr
Smiles	O=C(NC1CCCCC1)N/N=C\C(\Br)=C\c1ccccc1
InChI	InChI=1S/C16H20BrN3O/c17-14(11-13-7-3-1-4-8-13)12-18-20-16(21)19-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15H,2,5-6,9-10H2,(H2,19,20,21)
InChIK	XKHDFIMXKSAKST-UHFFFAOYSA-N
TotalMolweight	350.259
Molweight	350.259
MonoisotopicMass	349.078973
CLogP	3.6534
CLogS	-5.429
H Acceptors	4
H Donors	2
TotalSurfaceArea	249.83
Relative PSA	0.19001
PolarSurfaceArea	53.49
Druglikeness	-5.0898
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.71429
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	6
Symmetricatoms	4
Amides	1
StereoCon

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