Molecule

ID:48767

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉ClN₂O
Molecular Mass
206.71296
Exact Mass
206.11859092
Charge
0
InChI
InChI=1S/C9H18N2O.ClH/c1-8-4-3-5-11(7-8)9(12)6-10-2;/h8,10H,3-7H2,1-2H3;1H
InChIKey
YDRDEQCZEMWYLA-UHFFFAOYSA-N
Canonic Smiles
CNCC(=O)N1CCCC(C1)C.Cl
Isomeric Smiles
N1(C(=O)CNC)CC(CCC1)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.8350506
LogD (pH = 7.4)
-1.2835857
Log P
0.14085332
Molar Refractivity
49.0072
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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