Molecule

ID:29410

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₅NO
Molecular Mass
331.4507
Exact Mass
331.19361443
Charge
0
InChI
InChI=1S/C23H25NO/c1-19-7-5-6-10-21(19)15-17-24-22-11-13-23(14-12-22)25-18-16-20-8-3-2-4-9-20/h2-14,24H,15-18H2,1H3
InChIKey
KSJHPDFLVAMRKI-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1CCNc1ccc(cc1)OCCc1ccccc1
Isomeric Smiles
c1(c(C)cccc1)CCNc1ccc(cc1)OCCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.2939386
LogD (pH = 7.4)
5.81492
Log P
5.8280425
Molar Refractivity
106.4914
Polarizability
40.39102
Polar Surface Area
21.26
Rotatable Bonds
8
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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