Molecule

ID:10980

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈ClNO
Molecular Mass
191.69832
Exact Mass
191.10769188
Charge
0
InChI
InChI=1S/C9H18ClNO/c10-6-9(12)7-11-8-4-2-1-3-5-8/h8-9,11-12H,1-7H2
InChIKey
GTJMFOHODNLXNN-UHFFFAOYSA-N
Canonic Smiles
ClCC(CNC1CCCCC1)O
Isomeric Smiles
N(CC(O)CCl)C1CCCCC1
Calculated Properties
JChem
Acid pKa
14.016731
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.5646515
LogD (pH = 7.4)
-0.6983382
Log P
1.6405469
Molar Refractivity
51.0134
Polarizability
20.548399
Polar Surface Area
32.26
Rotatable Bonds
4
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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