Molecule

ID:112980

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₆N₂O₂
Molecular Mass
302.41124
Exact Mass
302.19942808
Charge
0
InChI
InChI=1S/C18H26N2O2/c1-18(2,3)22-17(21)20-12-15-10-19(11-16(15)13-20)9-14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3
InChIKey
WUEVXPVJRUPJLC-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CC2C(C1)CN(C2)Cc1ccccc1)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)CC2C(C1)CN(C2)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.8654926
LogD (pH = 7.4)
0.6723945
Log P
2.3876107
Molar Refractivity
87.9106
Polarizability
34.394497
Polar Surface Area
32.78
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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