Molecule
ID:54845
General Information
Molecular Formula
C₃₀H₄₈N₂O₂
Molecular Mass
468.71432
Exact Mass
468.37157879
Charge
0
InChI
InChI=1S/C30H48N2O2/c1-7-29(25-13-17-27(18-14-25)33-23-21-31(9-3)10-4)30(8-2)26-15-19-28(20-16-26)34-24-22-32(11-5)12-6/h13-20,29-30H,7-12,21-24H2,1-6H3
InChIKey
UBDWKOZBPSKHMO-UHFFFAOYSA-N
Canonic Smiles
CCC(C(c1ccc(cc1)OCCN(CC)CC)CC)c1ccc(cc1)OCCN(CC)CC
Isomeric Smiles
O(c1ccc(C(C(CC)c2ccc(OCCN(CC)CC)cc2)CC)cc1)CCN(CC)CC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.45047078
LogD (pH = 7.4)
3.2664633
Log P
7.1219625
Molar Refractivity
146.6544
Polarizability
57.392788
Polar Surface Area
24.94
Rotatable Bonds
17
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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