Molecule

ID:25205

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂O
Molecular Mass
230.30552
Exact Mass
230.14191321
Charge
0
InChI
InChI=1S/C14H18N2O/c1-17-10-5-6-13-12(7-10)11-4-2-3-9(8-15)14(11)16-13/h5-7,9,16H,2-4,8,15H2,1H3
InChIKey
SPJVBNCWKSIYSL-UHFFFAOYSA-N
Canonic Smiles
NCC1CCCc2c1[nH]c1c2cc(cc1)OC
Isomeric Smiles
c12[nH]c3c(c1CCCC2CN)cc(cc3)OC
Calculated Properties
JChem
Acid pKa
17.265596
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.0221967
LogD (pH = 7.4)
-0.41494477
Log P
1.9936535
Molar Refractivity
69.0804
Polarizability
27.938862
Polar Surface Area
51.04
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