Molecule

ID:18818

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂
Molecular Mass
204.3113
Exact Mass
204.16264865
Charge
0
InChI
InChI=1S/C13H20N2/c14-10-13-7-9-15(11-13)8-6-12-4-2-1-3-5-12/h1-5,13H,6-11,14H2
InChIKey
FJHBXXSVOVHAEM-UHFFFAOYSA-N
Canonic Smiles
NCC1CCN(C1)CCc1ccccc1
Isomeric Smiles
N1(CC(CC1)CN)CCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.6524277
LogD (pH = 7.4)
-2.6128757
Log P
1.4720703
Molar Refractivity
64.8557
Polarizability
25.522182
Polar Surface Area
29.26
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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