Molecule

ID:76968

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO
Molecular Mass
191.26948
Exact Mass
191.13101417
Charge
0
InChI
InChI=1S/C12H17NO/c1-14-11-5-3-10(4-6-11)12(9-13)7-2-8-12/h3-6H,2,7-9,13H2,1H3
InChIKey
UPZJUNZCLDSSFX-UHFFFAOYSA-N
Canonic Smiles
NCC1(CCC1)c1ccc(cc1)OC
Isomeric Smiles
NCC1(c2ccc(cc2)OC)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0347664
LogD (pH = 7.4)
-0.10111885
Log P
1.9538206
Molar Refractivity
57.4181
Polarizability
22.787336
Polar Surface Area
35.25
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