Molecule

ID:55259

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₅Cl₂N₃O
Molecular Mass
298.2524
Exact Mass
297.1374678
Charge
0
InChI
InChI=1S/C12H23N3O.2ClH/c13-10-5-7-15(8-6-10)9-12(16)14-11-3-1-2-4-11;;/h10-11H,1-9,13H2,(H,14,16);2*1H
InChIKey
QRDYTICCGCXZPW-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)CC(=O)NC1CCCC1.Cl.Cl
Isomeric Smiles
C(=O)(NC1CCCC1)CN1CCC(CC1)N.Cl.Cl
Calculated Properties
JChem
Acid pKa
15.86871
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.3189917
LogD (pH = 7.4)
-3.095313
Log P
-0.3492341
Molar Refractivity
64.5866
Polarizability
25.634712
Polar Surface Area
58.36
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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