Molecule

ID:21168

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO
Molecular Mass
191.26948
Exact Mass
191.13101417
Charge
0
InChI
InChI=1S/C12H17NO/c1-2-4-11(5-3-1)9-14-10-12-6-7-13-8-12/h1-5,12-13H,6-10H2
InChIKey
RFOAPIACLKWTAY-UHFFFAOYSA-N
Canonic Smiles
C1NCC(C1)COCc1ccccc1
Isomeric Smiles
N1CC(COCc2ccccc2)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6901083
LogD (pH = 7.4)
-1.5834963
Log P
1.5503695
Molar Refractivity
57.8997
Polarizability
22.882164
Polar Surface Area
21.26
Rotatable Bonds
4
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