Molecule

ID:119923

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈ClNO₂
Molecular Mass
219.70842
Exact Mass
219.1026065
Charge
0
InChI
InChI=1S/C10H17NO2.ClH/c12-10(13)8-4-3-7-11-6-2-1-5-9(8)11;/h8-9H,1-7H2,(H,12,13);1H/t8-,9-;/m1./s1
InChIKey
QFMWAHYNWNFAGF-VTLYIQCISA-N
Canonic Smiles
OC(=O)[C@@H]1CCCN2[C@@H]1CCCC2.Cl
Isomeric Smiles
[C@@H]1([C@@H]2N(CCC1)CCCC2)C(=O)O.Cl
Calculated Properties
JChem
Acid pKa
3.7984734
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4081726
LogD (pH = 7.4)
-1.4018037
Log P
-1.401556
Molar Refractivity
50.0282
Polarizability
19.736694
Polar Surface Area
40.54
Rotatable Bonds
1
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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