Molecule

ID:77677

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂
Molecular Mass
204.3113
Exact Mass
204.16264865
Charge
0
InChI
InChI=1S/C13H20N2/c1-2-13-11-15(9-8-14-13)10-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3/t13-/m0/s1
InChIKey
CTPKPBTULPZITK-ZDUSSCGKSA-N
Canonic Smiles
CC[C@@H]1NCCN(C1)Cc1ccccc1
Isomeric Smiles
N1(Cc2ccccc2)CCN[C@H](C1)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1519158
LogD (pH = 7.4)
0.116862215
Log P
2.3178117
Molar Refractivity
64.2989
Polarizability
25.600323
Polar Surface Area
15.27
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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