Molecule

ID:46022

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO
Molecular Mass
177.2429
Exact Mass
177.11536411
Charge
0
InChI
InChI=1S/C11H15NO/c1-8-3-4-9(2)11(5-8)13-10-6-12-7-10/h3-5,10,12H,6-7H2,1-2H3
InChIKey
MRVQLOQAKVBDBJ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1OC1CNC1)C
Isomeric Smiles
c1(OC2CNC2)c(ccc(c1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.49504942
LogD (pH = 7.4)
1.1487956
Log P
2.366256
Molar Refractivity
53.0292
Polarizability
20.866983
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