Molecule

ID:80904

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₅NO
Molecular Mass
295.4186
Exact Mass
295.19361443
Charge
0
InChI
InChI=1S/C20H25NO/c1-12-13(2)15(4)20(16(5)14(12)3)19(22)10-9-17-7-6-8-18(21)11-17/h6-8,11H,9-10,21H2,1-5H3
InChIKey
FZDMZWPHYLMSAU-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)CCC(=O)c1c(C)c(C)c(c(c1C)C)C
Isomeric Smiles
O=C(c1c(c(c(c(c1C)C)C)C)C)CCc1cc(ccc1)N
Calculated Properties
JChem
Acid pKa
17.235537
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.5245647
LogD (pH = 7.4)
5.54768
Log P
5.5479827
Molar Refractivity
95.6901
Polarizability
35.502186
Polar Surface Area
43.09
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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