Molecule

ID:48981

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄ClN₃O₂
Molecular Mass
277.79086
Exact Mass
277.1557047
Charge
0
InChI
InChI=1S/C12H23N3O2.ClH/c16-9-8-14-4-6-15(7-5-14)12(17)11-2-1-3-13-10-11;/h11,13,16H,1-10H2;1H
InChIKey
HBWFQNOHNQOQPV-UHFFFAOYSA-N
Canonic Smiles
OCCN1CCN(CC1)C(=O)C1CCCNC1.Cl
Isomeric Smiles
C(=O)(N1CCN(CC1)CCO)C1CNCCC1.Cl
Calculated Properties
JChem
Acid pKa
15.593098
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-5.640248
LogD (pH = 7.4)
-3.4249556
Log P
-1.1664333
Molar Refractivity
66.8793
Polarizability
26.264048
Polar Surface Area
55.81
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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