Molecule

ID:57694

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃NO
Molecular Mass
199.24842
Exact Mass
199.09971404
Charge
0
InChI
InChI=1S/C13H13NO/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-9,14-15H,10H2
InChIKey
SRYYOKKLTBRLHT-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)NCc1ccccc1
Isomeric Smiles
N(c1ccc(cc1)O)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
10.338731
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.6533918
LogD (pH = 7.4)
2.8627825
Log P
2.8669317
Molar Refractivity
62.8453
Polarizability
23.531572
Polar Surface Area
32.26
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