Molecule

ID:35014

General Information
Structure
Molecular Formula
C₁₄H₂₉N₃O
Molecular Mass
255.39956
Exact Mass
255.23106256
Charge
0
InChI
InChI=1S/C14H29N3O/c1-4-16(5-2)10-6-9-15-14-7-11-17(12-8-14)13(3)18/h14-15H,4-12H2,1-3H3
InChIKey
GKMUVZXDDZGWQW-UHFFFAOYSA-N
Canonic Smiles
CCN(CCCNC1CCN(CC1)C(=O)C)CC
Isomeric Smiles
N1(C(=O)C)CCC(CC1)NCCCN(CC)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-6.2932825
LogD (pH = 7.4)
-4.264024
Log P
-0.14695783
Molar Refractivity
76.7974
Polarizability
30.05088
Polar Surface Area
35.58
Rotatable Bonds
7
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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