1,1-bis(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

Formula:C15H20N2OCl2 Mutagenic:high Tumorigenic:high Reproductive Effective:high 1,1-bis(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea is a drug-like molecule.

MolName	1,1-bis(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
MolecularFormula	C15H20N2OCl2
Smiles	O=C(Nc1c(CCCC2)c2ccc1)N(CCCl)CCCl
InChI	InChI=1S/C15H20Cl2N2O/c16-8-10-19(11-9-17)15(20)18-14-7-3-5-12-4-1-2-6-13(12)14/h3,5,7H,1-2,4,6,8-11H2,(H,18,20)
InChIK	QMBHQQVGEMWMEF-UHFFFAOYSA-N
TotalMolweight	315.243
Molweight	315.243
MonoisotopicMass	314.095267
CLogP	3.7868
CLogS	-4.269
H Acceptors	3
H Donors	1
TotalSurfaceArea	240.19
Relative PSA	0.11678
PolarSurfaceArea	32.34
Druglikeness	-0.43902
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.55
Fragments	1
Non HAtoms	20
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	8
Symmetricatoms	3
Amides	2
StereoCon

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