Molecule

ID:14710

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂O
Molecular Mass
202.25236
Exact Mass
202.11061308
Charge
0
InChI
InChI=1S/C12H14N2O/c1-10-5-6-12(15-10)9-13-8-11-4-2-3-7-14-11/h2-7,13H,8-9H2,1H3
InChIKey
QJURXNFXHPGCFF-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(o1)CNCc1ccccn1
Isomeric Smiles
c1(oc(cc1)C)CNCc1ccccn1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.107857764
LogD (pH = 7.4)
1.2914381
Log P
1.3796751
Molar Refractivity
58.7801
Polarizability
22.858084
Polar Surface Area
38.06
Rotatable Bonds
4
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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