Molecule

ID:46041

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO
Molecular Mass
177.2429
Exact Mass
177.11536411
Charge
0
InChI
InChI=1S/C11H15NO/c1-2-9-4-3-5-10(6-9)13-11-7-12-8-11/h3-6,11-12H,2,7-8H2,1H3
InChIKey
XVCVJCHQPWGDCY-UHFFFAOYSA-N
Canonic Smiles
CCc1cccc(c1)OC1CNC1
Isomeric Smiles
N1CC(Oc2cc(ccc2)CC)C1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.55655414
LogD (pH = 7.4)
1.0915923
Log P
2.2974033
Molar Refractivity
52.589
Polarizability
20.944878
Polar Surface Area
21.26
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