Molecule

ID:135428

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄N₂O₂S
Molecular Mass
320.44966
Exact Mass
320.15584902
Charge
0
InChI
InChI=1S/C17H24N2O2S/c1-12-5-7-14(8-6-12)22(20,21)19-18-15-11-13-9-10-17(15,4)16(13,2)3/h5-8,13,19H,9-11H2,1-4H3/t13-,17+/m0/s1
InChIKey
DPXSCASCDWIKEX-SUMWQHHRSA-N
Canonic Smiles
Cc1ccc(cc1)S(=O)(=O)N/N=C\1/C[C@H]2C([C@]1(C)CC2)(C)C
Isomeric Smiles
Cc1ccc(cc1)S(=O)(=O)N/N=C\1/C[C@@H]2CC[C@]1(C2(C)C)C
Calculated Properties
JChem
Acid pKa
9.825705
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.0993276
LogD (pH = 7.4)
4.110548
Log P
4.099184
Molar Refractivity
88.2062
Polarizability
35.047077
Polar Surface Area
58.53
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