Molecule

ID:23286

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄N₂O₂
Molecular Mass
312.40606
Exact Mass
312.18377802
Charge
0
InChI
InChI=1S/C19H24N2O2/c1-2-3-4-7-14-23-18-9-6-5-8-17(18)19(22)21-16-12-10-15(20)11-13-16/h5-6,8-13H,2-4,7,14,20H2,1H3,(H,21,22)
InChIKey
RTIPPVVSQCGVJI-UHFFFAOYSA-N
Canonic Smiles
CCCCCCOc1ccccc1C(=O)Nc1ccc(cc1)N
Isomeric Smiles
C(=O)(c1c(OCCCCCC)cccc1)Nc1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
12.247463
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.2838078
LogD (pH = 7.4)
4.2914653
Log P
4.2915697
Molar Refractivity
95.8307
Polarizability
35.809414
Polar Surface Area
64.35
Rotatable Bonds
8
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