Molecule

ID:35663

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₈N₂
Molecular Mass
272.42832
Exact Mass
272.22524891
Charge
0
InChI
InChI=1S/C18H28N2/c1-14-6-3-4-8-17(14)19-13-15-9-10-18-16(12-15)7-5-11-20(18)2/h9-10,12,14,17,19H,3-8,11,13H2,1-2H3
InChIKey
RWEZLJIYECUTNZ-UHFFFAOYSA-N
Canonic Smiles
CC1CCCCC1NCc1ccc2c(c1)CCCN2C
Isomeric Smiles
c12N(CCCc1cc(CNC1C(C)CCCC1)cc2)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0104483
LogD (pH = 7.4)
1.4862224
Log P
4.288339
Molar Refractivity
87.131
Polarizability
33.604347
Polar Surface Area
15.27
Rotatable Bonds
3
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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