Molecule

ID:618

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄N₄O₂
Molecular Mass
340.41946
Exact Mass
340.18992603
Charge
0
InChI
InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
InChIKey
XDRYMKDFEDOLFX-UHFFFAOYSA-N
Canonic Smiles
NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N
Isomeric Smiles
O(CCCCCOc1ccc(cc1)C(=N)N)c1ccc(cc1)C(=N)N
Calculated Properties
JChem
LogD (pH = 7.4)
-2.50
LogD (pH = 5.5)
-2.51
Log P
2.32
Rotatable Bonds
10
H Donor
4
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
12.13
Polar Surface Area
118.20
Polarizability
38.92
Molar Refractivity
120.53
LOG S
-4.64
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
No Data Available
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Molecule Details
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References
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Bioactivity
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