Molecule

ID:88541

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂N₂O
Molecular Mass
152.19368
Exact Mass
152.09496301
Charge
0
InChI
InChI=1S/C8H12N2O/c9-7-3-1-2-4-8(7)10-5-6-11/h1-4,10-11H,5-6,9H2
InChIKey
SVSMZBHIKNYPRG-UHFFFAOYSA-N
Canonic Smiles
OCCNc1ccccc1N
Isomeric Smiles
N(c1c(cccc1)N)CCO
Calculated Properties
JChem
Acid pKa
15.588337
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-0.12451224
LogD (pH = 7.4)
-0.073692076
Log P
-0.07300402
Molar Refractivity
47.2445
Polarizability
16.909561
Polar Surface Area
58.28
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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