Molecule

ID:31785

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂
Molecular Mass
162.23156
Exact Mass
162.11569846
Charge
0
InChI
InChI=1S/C10H14N2/c1-2-10(1)12-8-5-9-3-6-11-7-4-9/h3-4,6-7,10,12H,1-2,5,8H2
InChIKey
PUFKXLFZJPNBDJ-UHFFFAOYSA-N
Canonic Smiles
C(Cc1ccncc1)NC1CC1
Isomeric Smiles
C1(CC1)NCCc1ccncc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.3422124
LogD (pH = 7.4)
-1.222177
Log P
1.068148
Molar Refractivity
49.1153
Polarizability
19.372005
Polar Surface Area
24.92
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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