Molecule

ID:1248

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆N₂O
Molecular Mass
274.40114
Exact Mass
274.20451346
Charge
0
InChI
InChI=1S/C17H26N2O/c1-12(2)19(13(3)4)9-8-14-11-18-17-7-6-15(20-5)10-16(14)17/h6-7,10-13,18H,8-9H2,1-5H3
InChIKey
DNBPMBJFRRVTSJ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)c(CCN(C(C)C)C(C)C)c[nH]2
Isomeric Smiles
O(c1cc2c(CCN(C(C)C)C(C)C)c[nH]c2cc1)C
Calculated Properties
JChem
LogD (pH = 7.4)
0.53
LogD (pH = 5.5)
0.20
Log P
3.69
Rotatable Bonds
6
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
10.83
Polar Surface Area
28.26
Polarizability
33.10
Molar Refractivity
85.24
LOG S
-3.05
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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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