Molecule

ID:55940

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃NO
Molecular Mass
151.20562
Exact Mass
151.09971404
Charge
0
InChI
InChI=1S/C9H13NO/c1-7-4-5-8(11)6-9(7)10(2)3/h4-6,11H,1-3H3
InChIKey
ZQFUXWBKBSWKON-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(c(c1)N(C)C)C
Isomeric Smiles
c1(cc(ccc1C)O)N(C)C
Calculated Properties
JChem
Acid pKa
10.112881
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2751048
LogD (pH = 7.4)
2.2901008
Log P
2.2911458
Molar Refractivity
47.5087
Polarizability
17.521172
Polar Surface Area
23.47
Rotatable Bonds
1
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