Molecule

ID:26628

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₈N₂OS
Molecular Mass
320.49272
Exact Mass
320.19223453
Charge
0
InChI
InChI=1S/C18H28N2OS/c1-18(2,3)12-7-8-13-14(11-12)22-16(19)15(13)17(21)20-9-5-4-6-10-20/h12H,4-11,19H2,1-3H3
InChIKey
UXISAUWIIAZMLX-UHFFFAOYSA-N
Canonic Smiles
O=C(c1c(N)sc2c1CCC(C2)C(C)(C)C)N1CCCCC1
Isomeric Smiles
c1(c(sc2c1CCC(C2)C(C)(C)C)N)C(=O)N1CCCCC1
Calculated Properties
JChem
Acid pKa
19.916988
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.792462
LogD (pH = 7.4)
4.792464
Log P
4.792464
Molar Refractivity
93.6315
Polarizability
35.27529
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