Molecule

ID:24435

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O
Molecular Mass
220.3107
Exact Mass
220.15756327
Charge
0
InChI
InChI=1S/C13H20N2O/c1-3-14-13(16)9-10-15-11(2)12-7-5-4-6-8-12/h4-8,11,15H,3,9-10H2,1-2H3,(H,14,16)
InChIKey
GYEOLMNODGTXRH-UHFFFAOYSA-N
Canonic Smiles
CCNC(=O)CCNC(c1ccccc1)C
Isomeric Smiles
C(=O)(CCNC(c1ccccc1)C)NCC
Calculated Properties
JChem
Acid pKa
16.237133
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.6652571
LogD (pH = 7.4)
-0.31787834
Log P
1.4367071
Molar Refractivity
65.9763
Polarizability
25.962002
Polar Surface Area
41.13
Rotatable Bonds
6
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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