Molecule

ID:57233

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₄
Molecular Mass
242.31952
Exact Mass
242.1531466
Charge
0
InChI
InChI=1S/C14H18N4/c1-17-8-10-18(11-9-17)13-4-2-12(3-5-13)14-6-7-15-16-14/h2-7H,8-11H2,1H3,(H,15,16)
InChIKey
QIUCNWDIHQUMBA-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)c1ccc(cc1)c1ccn[nH]1
Isomeric Smiles
[nH]1nccc1c1ccc(cc1)N1CCN(CC1)C
Calculated Properties
JChem
Acid pKa
13.651961
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.536415
LogD (pH = 7.4)
1.2073777
Log P
1.7998197
Molar Refractivity
75.2378
Polarizability
29.263588
Polar Surface Area
35.16
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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