Molecule

ID:46071

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃NO
Molecular Mass
199.24842
Exact Mass
199.09971404
Charge
0
InChI
InChI=1S/C13H13NO/c1-2-4-11-7-12(6-5-10(11)3-1)15-13-8-14-9-13/h1-7,13-14H,8-9H2
InChIKey
ZQXUEIDHHHQAEN-UHFFFAOYSA-N
Canonic Smiles
N1CC(C1)Oc1ccc2c(c1)cccc2
Isomeric Smiles
N1CC(Oc2cc3c(cc2)cccc3)C1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5187909
LogD (pH = 7.4)
1.1329083
Log P
2.32889
Molar Refractivity
59.397
Polarizability
24.919716
Polar Surface Area
21.26
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