Molecule

ID:26699

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₄N₂O₂S
Molecular Mass
332.46036
Exact Mass
332.15584902
Charge
0
InChI
InChI=1S/C18H24N2O2S/c1-18(2,3)11-6-7-13-14(9-11)23-16(19)15(13)17(21)20-10-12-5-4-8-22-12/h4-5,8,11H,6-7,9-10,19H2,1-3H3,(H,20,21)
InChIKey
DQGGBGSWOOCOBQ-UHFFFAOYSA-N
Canonic Smiles
O=C(c1c(N)sc2c1CCC(C2)C(C)(C)C)NCc1ccco1
Isomeric Smiles
c1(c(sc2c1CCC(C2)C(C)(C)C)N)C(=O)NCc1occc1
Calculated Properties
JChem
Acid pKa
15.5999975
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
4.5031385
LogD (pH = 7.4)
4.5031414
Log P
4.5031414
Molar Refractivity
93.5963
Polarizability
35.10967
Polar Surface Area
68.26
Rotatable Bonds
4
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