Molecule

ID:34911

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆N₂
Molecular Mass
258.40174
Exact Mass
258.20959884
Charge
0
InChI
InChI=1S/C17H26N2/c1-2-6-15(7-3-1)14-19-12-10-17(11-13-19)18-16-8-4-5-9-16/h1-3,6-7,16-18H,4-5,8-14H2
InChIKey
NMQVXTRNGHHKBR-UHFFFAOYSA-N
Canonic Smiles
C1CCC(C1)NC1CCN(CC1)Cc1ccccc1
Isomeric Smiles
N1(Cc2ccccc2)CCC(NC2CCCC2)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.1528692
LogD (pH = 7.4)
-0.4187922
Log P
2.9131026
Molar Refractivity
81.1703
Polarizability
32.24483
Polar Surface Area
15.27
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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