Molecule

ID:62188

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆ClN₃O₂
Molecular Mass
339.86024
Exact Mass
339.17135477
Charge
0
InChI
InChI=1S/C17H25N3O2.ClH/c1-12(21)20-10-15(16(11-20)17(22)19(3)4)14-7-5-13(6-8-14)9-18-2;/h5-8,15-16,18H,9-11H2,1-4H3;1H/t15-,16+;/m0./s1
InChIKey
FHJKBVHXQYGBKP-IDVLALEDSA-N
Canonic Smiles
CNCc1ccc(cc1)[C@@H]1CN(C[C@H]1C(=O)N(C)C)C(=O)C.Cl
Isomeric Smiles
[C@H]1(C(=O)N(C)C)[C@@H](CN(C1)C(=O)C)c1ccc(cc1)CNC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.2942924
LogD (pH = 7.4)
-2.327108
Log P
-0.10095161
Molar Refractivity
87.3164
Polarizability
33.792793
Polar Surface Area
52.65
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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