Molecule

ID:73515

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈N₂
Molecular Mass
202.29542
Exact Mass
202.14699859
Charge
0
InChI
InChI=1S/C13H18N2/c1-2-6-12(7-3-1)13-8-4-10-15(13)11-5-9-14-13/h1-3,6-7,14H,4-5,8-11H2
InChIKey
NAKGVDHHANMIQD-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)C12CCCN2CCCN1
Isomeric Smiles
N12C(c3ccccc3)(NCCC1)CCC2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0120935
LogD (pH = 7.4)
1.2363907
Log P
2.175955
Molar Refractivity
62.7181
Polarizability
24.853977
Polar Surface Area
15.27
Rotatable Bonds
1
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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