Molecule

ID:58320

General Information
Structure
Molecular Formula
C₇H₁₃NO
Molecular Mass
127.18422
Exact Mass
127.09971404
Charge
0
InChI
InChI=1S/C7H13NO/c1-8-5-2-3-7(9)4-6-8/h2-6H2,1H3
InChIKey
HXCVYSRFFKEHEA-UHFFFAOYSA-N
Canonic Smiles
CN1CCCC(=O)CC1
Isomeric Smiles
C1C(=O)CCN(CC1)C
Calculated Properties
JChem
Acid pKa
18.210371
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.7237232
LogD (pH = 7.4)
-0.017156513
Log P
0.461794
Molar Refractivity
37.2185
Polarizability
14.49175
Polar Surface Area
20.31
Rotatable Bonds
0
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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