Molecule

ID:48771

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉ClN₂O
Molecular Mass
206.71296
Exact Mass
206.11859092
Charge
0
InChI
InChI=1S/C9H18N2O.ClH/c1-10-8-9(12)11-6-4-2-3-5-7-11;/h10H,2-8H2,1H3;1H
InChIKey
BWXJQXHMNOQMNG-UHFFFAOYSA-N
Canonic Smiles
CNCC(=O)N1CCCCCC1.Cl
Isomeric Smiles
N1(C(=O)CNC)CCCCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.755458
LogD (pH = 7.4)
-1.2039967
Log P
0.22044915
Molar Refractivity
49.1366
Polarizability
19.311396
Polar Surface Area
32.34
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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