1-[(Z)-2,3-dibromoprop-2-enyl]-3-naphthalen-1-ylthiourea

Formula:C14H12N2Br2S Mutagenic:high Tumorigenic:high Reproductive Effective:none 1-[(Z)-2,3-dibromoprop-2-enyl]-3-naphthalen-1-ylthiourea is a drug-like molecule.

MolName	1-[(Z)-2,3-dibromoprop-2-enyl]-3-naphthalen-1-ylthiourea
MolecularFormula	C14H12N2Br2S
Smiles	S=C(NC/C(/Br)=C/Br)Nc1cccc2ccccc12
InChI	InChI=1S/C14H12Br2N2S/c15-8-11(16)9-17-14(19)18-13-7-3-5-10-4-1-2-6-12(10)13/h1-8H,9H2,(H2,17,18,19)
InChIK	AZIZQHJEOVVYBO-UHFFFAOYSA-N
TotalMolweight	400.137
Molweight	400.137
MonoisotopicMass	397.90879
CLogP	4.2055
CLogS	-5.719
H Acceptors	2
H Donors	2
TotalSurfaceArea	239.22
Relative PSA	0.21286
PolarSurfaceArea	56.15
Druglikeness	-5.5432
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	1,2-dihalo-alkene; thio-amide/urea
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	2
Aromatic Atoms	10
Sp3Atoms	2
StereoCon

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