Molecule

ID:19093

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂
Molecular Mass
204.3113
Exact Mass
204.16264865
Charge
0
InChI
InChI=1S/C13H20N2/c1-11-4-6-12(7-5-11)13(10-14)15-8-2-3-9-15/h4-7,13H,2-3,8-10,14H2,1H3
InChIKey
LKZLXWFCBLLWEP-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccc(cc1)C)N1CCCC1
Isomeric Smiles
N1(C(c2ccc(cc2)C)CN)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.4236546
LogD (pH = 7.4)
-0.14054953
Log P
2.0966446
Molar Refractivity
64.8029
Polarizability
25.518263
Polar Surface Area
29.26
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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