Molecule

ID:48865

General Information
Structure
Molecular Formula
C₁₀H₂₂ClN₃O₂
Molecular Mass
251.75358
Exact Mass
251.14005464
Charge
0
InChI
InChI=1S/C10H21N3O2.ClH/c1-10(2,11)9(15)13-5-3-12(4-6-13)7-8-14;/h14H,3-8,11H2,1-2H3;1H
InChIKey
WWDVVPIDQSZTQP-UHFFFAOYSA-N
Canonic Smiles
OCCN1CCN(CC1)C(=O)C(N)(C)C.Cl
Isomeric Smiles
C(=O)(N1CCN(CC1)CCO)C(N)(C)C.Cl
Calculated Properties
JChem
Acid pKa
15.593097
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-5.295011
LogD (pH = 7.4)
-2.670735
Log P
-1.3485184
Molar Refractivity
59.1686
Polarizability
23.311802
Polar Surface Area
69.8
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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