Molecule

ID:119428

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆ClN₃O₂
Molecular Mass
339.86024
Exact Mass
339.17135477
Charge
0
InChI
InChI=1S/C17H25N3O2.ClH/c1-11(2)6-14(18)17(22)19-8-12-7-13(10-19)15-4-3-5-16(21)20(15)9-12;/h3-5,11-14H,6-10,18H2,1-2H3;1H/t12?,13?,14-;/m0./s1
InChIKey
UCUJIGGHQJZUKM-WTMFEIAXSA-N
Canonic Smiles
CC(C[C@@H](C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)N)C.Cl
Isomeric Smiles
n12c([C@@H]3CN(C(=O)[C@H](CC(C)C)N)C[C@H](C2)C3)cccc1=O.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.4464834
LogD (pH = 7.4)
-0.8313099
Log P
0.22883323
Molar Refractivity
88.0214
Polarizability
33.316284
Polar Surface Area
66.64
Rotatable Bonds
3
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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