Molecule

ID:37568

General Information
Structure
Molecular Formula
C₁₀H₁₅NO
Molecular Mass
165.2322
Exact Mass
165.11536411
Charge
0
InChI
InChI=1S/C10H15NO/c1-7(12)6-9-8(4-5-11)10(9,2)3/h8-9H,4,6H2,1-3H3
InChIKey
KRZTYSCUOUIFHR-UHFFFAOYSA-N
Canonic Smiles
N#CCC1C(C1(C)C)CC(=O)C
Isomeric Smiles
C1(C(C1(C)C)CC#N)CC(=O)C
Calculated Properties
JChem
Acid pKa
19.596231
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1310385
LogD (pH = 7.4)
1.1310385
Log P
1.1310385
Molar Refractivity
46.9871
Polarizability
18.33316
Polar Surface Area
40.86
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation