Molecule

ID:71997

General Information
Structure
Molecular Formula
C₁₁H₁₇NO
Molecular Mass
179.25878
Exact Mass
179.13101417
Charge
0
InChI
InChI=1S/C11H17NO/c1-12-10-5-7-2-8(6-10)4-9(3-7)11(12)13/h7-10H,2-6H2,1H3
InChIKey
NGOMHSBTLDUYGH-UHFFFAOYSA-N
Canonic Smiles
CN1C2CC3CC(C1=O)CC(C2)C3
Isomeric Smiles
C1C2CC3CC1CC(C2)C(=O)N3C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.2173011
LogD (pH = 7.4)
1.2173054
Log P
1.2173055
Molar Refractivity
50.7657
Polarizability
20.010946
Polar Surface Area
20.31
Rotatable Bonds
0
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