Molecule

ID:36156

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₅ClN₂O₃
Molecular Mass
340.845
Exact Mass
340.15537035
Charge
0
InChI
InChI=1S/C17H25ClN2O3/c1-17(2,3)23-16(22)20-10-14(15(21)11-20)19-8-7-12-5-4-6-13(18)9-12/h4-6,9,14-15,19,21H,7-8,10-11H2,1-3H3/t14-,15-/m1/s1
InChIKey
KYQKXXGTNROADM-HUUCEWRRSA-N
Canonic Smiles
O[C@@H]1CN(C[C@H]1NCCc1cccc(c1)Cl)C(=O)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)C[C@H]([C@@H](C1)O)NCCc1cc(Cl)ccc1
Calculated Properties
JChem
Acid pKa
14.168659
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.373457
LogD (pH = 7.4)
1.1795526
Log P
2.6009974
Molar Refractivity
90.249
Polarizability
35.71034
Polar Surface Area
61.8
Rotatable Bonds
6
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