Molecule

ID:118409

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂O
Molecular Mass
204.26824
Exact Mass
204.12626314
Charge
0
InChI
InChI=1S/C12H16N2O/c1-2-7-14-11-5-4-10(13)8-9(11)3-6-12(14)15/h4-5,8H,2-3,6-7,13H2,1H3
InChIKey
WUMCZVXYJVHZQR-UHFFFAOYSA-N
Canonic Smiles
CCCN1C(=O)CCc2c1ccc(c2)N
Isomeric Smiles
N1(c2c(cc(cc2)N)CCC1=O)CCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4201813
LogD (pH = 7.4)
1.4309503
Log P
1.4310893
Molar Refractivity
61.2748
Polarizability
22.979645
Polar Surface Area
46.33
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