Molecule

ID:119429

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆ClN₃O₂
Molecular Mass
339.86024
Exact Mass
339.17135477
Charge
0
InChI
InChI=1S/C17H25N3O2.ClH/c1-3-11(2)16(18)17(22)19-8-12-7-13(10-19)14-5-4-6-15(21)20(14)9-12;/h4-6,11-13,16H,3,7-10,18H2,1-2H3;1H/t11?,12?,13?,16-;/m0./s1
InChIKey
JAYQNFWOWUJNHY-MEIOGHCASA-N
Canonic Smiles
CCC([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](N)C(CC)C)C[C@H](C2)C3)cccc1=O.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.40848
LogD (pH = 7.4)
-0.8207009
Log P
0.30678695
Molar Refractivity
87.9444
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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