Molecule

ID:78447

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈ClNO₃
Molecular Mass
223.69712
Exact Mass
223.09752112
Charge
0
InChI
InChI=1S/C9H17NO3.ClH/c1-7(10)8(11)5-3-2-4-6-9(12)13;/h7H,2-6,10H2,1H3,(H,12,13);1H
InChIKey
ZGPOLJARQCHVLY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCCCC(=O)C(N)C.Cl
Isomeric Smiles
NC(C(=O)CCCCCC(=O)O)C.Cl
Calculated Properties
JChem
Acid pKa
4.4482427
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.3667789
LogD (pH = 7.4)
-1.4128585
Log P
-1.3484309
Molar Refractivity
48.7447
Polarizability
19.447386
Polar Surface Area
80.39
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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