Molecule

ID:30400

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂
Molecular Mass
190.28472
Exact Mass
190.14699859
Charge
0
InChI
InChI=1S/C12H18N2/c1-10-6-8-14(9-7-10)12-4-2-11(13)3-5-12/h2-5,10H,6-9,13H2,1H3
InChIKey
UZQJQJNKYMSTCP-UHFFFAOYSA-N
Canonic Smiles
CC1CCN(CC1)c1ccc(cc1)N
Isomeric Smiles
N1(c2ccc(N)cc2)CCC(CC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.6914986
LogD (pH = 7.4)
2.1724465
Log P
2.389749
Molar Refractivity
61.8776
Polarizability
22.949396
Polar Surface Area
29.26
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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