Molecule

ID:32208

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂N₂O
Molecular Mass
164.20438
Exact Mass
164.09496301
Charge
0
InChI
InChI=1S/C9H12N2O/c1-11-9(12)6-7-2-4-8(10)5-3-7/h2-5H,6,10H2,1H3,(H,11,12)
InChIKey
LDGLZUCCUIXNGP-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)Cc1ccc(cc1)N
Isomeric Smiles
C(=O)(Cc1ccc(N)cc1)NC
Calculated Properties
JChem
Acid pKa
16.182379
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.16760515
LogD (pH = 7.4)
0.19839443
Log P
0.1988016
Molar Refractivity
48.7849
Polarizability
18.196732
Polar Surface Area
55.12
Rotatable Bonds
2
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