Molecule

ID:250

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₂N₂O
Molecular Mass
270.36938
Exact Mass
270.17321333
Charge
0
InChI
InChI=1S/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3
InChIKey
HCFDWZZGGLSKEP-UHFFFAOYSA-N
Canonic Smiles
CN(CCOC(c1ccccn1)(c1ccccc1)C)C
Isomeric Smiles
O(C(c1ccccc1)(c1ncccc1)C)CCN(C)C
Calculated Properties
JChem
LogD (pH = 7.4)
1.48
LogD (pH = 5.5)
-0.17
Log P
2.96
Rotatable Bonds
6
H Donor
0
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
8.87
Polar Surface Area
25.36
Polarizability
31.24
Molar Refractivity
82.24
LOG S
-2.21
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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