Molecule

ID:117288

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₄O
Molecular Mass
258.31892
Exact Mass
258.14806122
Charge
0
InChI
InChI=1S/C14H18N4O/c1-19-13-4-2-3-12(11-13)18-10-7-16-14(18)17-8-5-15-6-9-17/h2-4,7,10-11,15H,5-6,8-9H2,1H3
InChIKey
NOAGBGRPGGAYTH-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)n1ccnc1N1CCNCC1
Isomeric Smiles
c1(n(c2cc(OC)ccc2)ccn1)N1CCNCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.3481724
LogD (pH = 7.4)
0.1200898
Log P
1.622
Molar Refractivity
85.1269
Polarizability
29.236357
Polar Surface Area
42.32
Rotatable Bonds
3
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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