Molecule

ID:29070

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₇NO₂
Molecular Mass
325.44458
Exact Mass
325.20417911
Charge
0
InChI
InChI=1S/C21H27NO2/c1-3-9-19(10-4-1)22-17-18-8-7-13-21(16-18)24-15-14-23-20-11-5-2-6-12-20/h2,5-8,11-13,16,19,22H,1,3-4,9-10,14-15,17H2
InChIKey
JSBVGRXAPMZFKJ-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CC1)NCc1cccc(c1)OCCOc1ccccc1
Isomeric Smiles
N(Cc1cc(OCCOc2ccccc2)ccc1)C1CCCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6010612
LogD (pH = 7.4)
2.3428278
Log P
4.8172436
Molar Refractivity
97.3356
Polarizability
38.678013
Polar Surface Area
30.49
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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