Molecule

ID:35497

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂
Molecular Mass
204.3113
Exact Mass
204.16264865
Charge
0
InChI
InChI=1S/C13H20N2/c1-11-4-2-3-9-15(11)13-7-5-12(10-14)6-8-13/h5-8,11H,2-4,9-10,14H2,1H3
InChIKey
MWEYRDMMAFUJNL-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)N1CCCCC1C
Isomeric Smiles
N1(c2ccc(cc2)CN)C(C)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.6792178
LogD (pH = 7.4)
0.30855158
Log P
2.4739993
Molar Refractivity
65.5208
Polarizability
25.193459
Polar Surface Area
29.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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