Molecule

ID:57576

General Information
Structure
Molecular Formula
C₈H₁₅NO₂
Molecular Mass
157.2102
Exact Mass
157.11027873
Charge
0
InChI
InChI=1S/C8H15NO2/c9-8(7(10)11)5-3-1-2-4-6-8/h1-6,9H2,(H,10,11)
InChIKey
IINRZEIPFQHEAP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1(N)CCCCCC1
Isomeric Smiles
C1CCC(CCC1)(C(=O)O)N
Calculated Properties
JChem
Acid pKa
2.636219
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.9381261
LogD (pH = 7.4)
-0.9391594
Log P
-0.9378309
Molar Refractivity
41.6584
Polarizability
16.785397
Polar Surface Area
63.32
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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