Molecule

ID:46038

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO
Molecular Mass
177.2429
Exact Mass
177.11536411
Charge
0
InChI
InChI=1S/C11H15NO/c1-8-3-4-10(5-9(8)2)13-11-6-12-7-11/h3-5,11-12H,6-7H2,1-2H3
InChIKey
OPLVXDQATZDFMN-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1C)OC1CNC1
Isomeric Smiles
N1CC(Oc2cc(c(cc2)C)C)C1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.49564922
LogD (pH = 7.4)
1.1478378
Log P
2.366256
Molar Refractivity
53.0292
Polarizability
20.86574
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