Molecule

ID:85263

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₆N₂O
Molecular Mass
322.44394
Exact Mass
322.20451346
Charge
0
InChI
InChI=1S/C21H26N2O/c1-20(2)15-8-9-21(20,3)19-17(15)18(23-10-12-24-13-11-23)14-6-4-5-7-16(14)22-19/h4-7,15H,8-13H2,1-3H3
InChIKey
RRCATOLXLWQNMY-UHFFFAOYSA-N
Canonic Smiles
CC12CCC(C2(C)C)c2c1nc1ccccc1c2N1CCOCC1
Isomeric Smiles
n1c2c(c(c3ccccc13)N1CCOCC1)C1C(C2(C)CC1)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.6468987
LogD (pH = 7.4)
3.5248086
Log P
4.4114056
Molar Refractivity
96.7854
Polarizability
38.56063
Polar Surface Area
25.36
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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