Molecule
ID:110255
General Information
Molecular Formula
C₉H₁₁NO
Molecular Mass
149.18974
Exact Mass
149.08406398
Charge
0
InChI
InChI=1S/C9H11NO/c1-2-10-9(11)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11)
InChIKey
SDIDYFBTIZOPLA-UHFFFAOYSA-N
Canonic Smiles
CCNC(=O)c1ccccc1
Isomeric Smiles
CCNC(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
15.012886
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.40437
LogD (pH = 7.4)
1.4043701
Log P
1.4043702
Molar Refractivity
44.7817
Polarizability
16.841103
Polar Surface Area
29.1
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...