Molecule

ID:57289

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈ClNO
Molecular Mass
203.70902
Exact Mass
203.10769188
Charge
0
InChI
InChI=1S/C10H18ClNO/c1-8-5-9(2)7-12(6-8)10(13)3-4-11/h8-9H,3-7H2,1-2H3
InChIKey
LNSIPBCCURESMW-UHFFFAOYSA-N
Canonic Smiles
ClCCC(=O)N1CC(C)CC(C1)C
Isomeric Smiles
N1(C(=O)CCCl)CC(CC(C1)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.771732
LogD (pH = 7.4)
1.7717321
Log P
1.7717321
Molar Refractivity
54.7971
Polarizability
21.459404
Polar Surface Area
20.31
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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