Molecule

ID:23036

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O
Molecular Mass
192.25754
Exact Mass
192.12626314
Charge
0
InChI
InChI=1S/C11H16N2O/c1-3-4-11(14)13-10-6-5-9(12)7-8(10)2/h5-7H,3-4,12H2,1-2H3,(H,13,14)
InChIKey
NIJBYCUGXOSOOM-UHFFFAOYSA-N
Canonic Smiles
CCCC(=O)Nc1ccc(cc1C)N
Isomeric Smiles
N(c1c(cc(N)cc1)C)C(=O)CCC
Calculated Properties
JChem
Acid pKa
16.239525
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.0136764
LogD (pH = 7.4)
2.0402071
Log P
2.0405562
Molar Refractivity
59.8905
Polarizability
21.793873
Polar Surface Area
55.12
Rotatable Bonds
3
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