Molecule

ID:35658

General Information
Structure
Molecular Formula
C₁₈H₂₈N₂
Molecular Mass
272.42832
Exact Mass
272.22524891
Charge
0
InChI
InChI=1S/C18H28N2/c1-2-11-20-12-5-6-16-13-15(9-10-18(16)20)14-19-17-7-3-4-8-17/h9-10,13,17,19H,2-8,11-12,14H2,1H3
InChIKey
HNLGHKXVALEYGX-UHFFFAOYSA-N
Canonic Smiles
CCCN1CCCc2c1ccc(c2)CNC1CCCC1
Isomeric Smiles
c12N(CCCc1cc(cc2)CNC1CCCC1)CCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9880258
LogD (pH = 7.4)
1.7104856
Log P
4.358128
Molar Refractivity
87.331
Polarizability
33.60419
Polar Surface Area
15.27
Rotatable Bonds
5
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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