Molecule

ID:125150

General Information
Structure
MolImage
Molecular Formula
C₂₇H₃₁NO
Molecular Mass
385.54114
Exact Mass
385.24056462
Charge
0
InChI
InChI=1S/C27H31NO/c1-4-10-24(11-5-1)22-28-19-16-23(17-20-28)18-21-29-27(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,23,27H,16-22H2
InChIKey
WRSJONWBAYSODC-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CN1CCC(CC1)CCOC(c1ccccc1)c1ccccc1
Isomeric Smiles
O(C(c1ccccc1)c1ccccc1)CCC1CCN(Cc2ccccc2)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9011652
LogD (pH = 7.4)
4.3560944
Log P
6.2117577
Molar Refractivity
121.4676
Polarizability
47.68859
Polar Surface Area
12.47
Rotatable Bonds
8
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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