Molecule

ID:12978

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c1-11-4-6-12(7-5-11)9-14-10-13-3-2-8-15-13/h4-7,13-14H,2-3,8-10H2,1H3
InChIKey
RYOHDRPJJLVPCE-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)CNCC1CCCO1
Isomeric Smiles
c1c(ccc(c1)CNCC1CCCO1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.67848724
LogD (pH = 7.4)
0.55026144
Log P
2.4636052
Molar Refractivity
62.6019
Polarizability
24.650126
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