Molecule

ID:55321

General Information
Structure
Molecular Formula
C₁₄H₂₈ClN₃O₂
Molecular Mass
305.84402
Exact Mass
305.18700483
Charge
0
InChI
InChI=1S/C14H27N3O2.ClH/c1-2-19-14(18)17-7-3-4-12(11-17)10-16-8-5-13(15)6-9-16;/h12-13H,2-11,15H2,1H3;1H
InChIKey
LXLBJVGLOIOWDH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)N1CCCC(C1)CN1CCC(CC1)N.Cl
Isomeric Smiles
N1(C(=O)OCC)CC(CN2CCC(CC2)N)CCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.5317593
LogD (pH = 7.4)
-3.4501667
Log P
0.1333043
Molar Refractivity
76.1836
Polarizability
30.013216
Polar Surface Area
58.8
Rotatable Bonds
4
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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