Molecule

ID:18201

General Information
Structure
Molecular Formula
C₁₀H₁₄N₂O₂
Molecular Mass
194.23036
Exact Mass
194.1055277
Charge
0
InChI
InChI=1S/C10H14N2O2/c13-10(14)9-7-5-3-1-2-4-6-8(7)11-12-9/h1-6H2,(H,11,12)(H,13,14)
InChIKey
QWSJZJQYRJNMSC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1n[nH]c2c1CCCCCC2
Isomeric Smiles
c1(n[nH]c2c1CCCCCC2)C(=O)O
Calculated Properties
JChem
Acid pKa
3.1590378
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.10752297
LogD (pH = 7.4)
-1.0265696
Log P
2.4263482
Molar Refractivity
53.3453
Polarizability
19.675764
Polar Surface Area
65.98
Rotatable Bonds
1
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