Molecule

ID:41134

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁NO
Molecular Mass
149.18974
Exact Mass
149.08406398
Charge
0
InChI
InChI=1S/C9H11NO/c1-10-9(11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,11)
InChIKey
RKEXPBCMGJAOLM-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)Cc1ccccc1
Isomeric Smiles
C(=O)(NC)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
16.130424
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.0277276
LogD (pH = 7.4)
1.0277276
Log P
1.0277276
Molar Refractivity
44.0845
Polarizability
17.060349
Polar Surface Area
29.1
Rotatable Bonds
2
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