Molecule

ID:77939

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O
Molecular Mass
178.23096
Exact Mass
178.11061308
Charge
0
InChI
InChI=1S/C10H14N2O/c1-12-7-8(6-11)13-10-5-3-2-4-9(10)12/h2-5,8H,6-7,11H2,1H3
InChIKey
VPYSMSLDVAQICD-UHFFFAOYSA-N
Canonic Smiles
NCC1CN(C)c2c(O1)cccc2
Isomeric Smiles
N1(c2ccccc2OC(C1)CN)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.8709662
LogD (pH = 7.4)
-0.51096845
Log P
1.0148767
Molar Refractivity
52.6008
Polarizability
20.3091
Polar Surface Area
38.49
Rotatable Bonds
1
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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