Molecule

ID:31163

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇NO
Molecular Mass
179.25878
Exact Mass
179.13101417
Charge
0
InChI
InChI=1S/C11H17NO/c1-9(2)10-3-5-11(6-4-10)13-8-7-12/h3-6,9H,7-8,12H2,1-2H3
InChIKey
KVKDLNXBRZGHPE-UHFFFAOYSA-N
Canonic Smiles
NCCOc1ccc(cc1)C(C)C
Isomeric Smiles
c1(ccc(cc1)OCCN)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.697998
LogD (pH = 7.4)
0.40764022
Log P
2.2635999
Molar Refractivity
54.6618
Polarizability
21.681635
Polar Surface Area
35.25
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