Molecule

ID:101168

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO₂
Molecular Mass
205.253
Exact Mass
205.11027873
Charge
0
InChI
InChI=1S/C12H15NO2/c14-10-12-3-1-11(2-4-12)9-13-5-7-15-8-6-13/h1-4,10H,5-9H2
InChIKey
KMAHWHPUXGNVBN-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)CN1CCOCC1
Isomeric Smiles
N1(Cc2ccc(C=O)cc2)CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.7331584
LogD (pH = 7.4)
1.388657
Log P
1.4086444
Molar Refractivity
60.2592
Polarizability
22.91375
Polar Surface Area
29.54
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