Molecule
ID:84767
General Information
Molecular Formula
C₂₇H₃₁NO₂
Molecular Mass
401.54054
Exact Mass
401.23547924
Charge
0
InChI
InChI=1S/C27H31NO2/c29-27(30-23-26-17-9-3-10-18-26)19-11-4-12-20-28(21-24-13-5-1-6-14-24)22-25-15-7-2-8-16-25/h1-3,5-10,13-18H,4,11-12,19-23H2
InChIKey
QXZNBHGJDLXBHO-UHFFFAOYSA-N
Canonic Smiles
O=C(OCc1ccccc1)CCCCCN(Cc1ccccc1)Cc1ccccc1
Isomeric Smiles
N(CCCCCC(=O)OCc1ccccc1)(Cc1ccccc1)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.053593
LogD (pH = 7.4)
4.433967
Log P
6.4022775
Molar Refractivity
123.336
Polarizability
48.45012
Polar Surface Area
29.54
Rotatable Bonds
13
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
No Data Available
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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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