Molecule

ID:31063

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂
Molecular Mass
190.28472
Exact Mass
190.14699859
Charge
0
InChI
InChI=1S/C12H18N2/c13-10-11-4-6-12(7-5-11)14-8-2-1-3-9-14/h4-7H,1-3,8-10,13H2
InChIKey
WROBJEHXMLQDQP-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)N1CCCCC1
Isomeric Smiles
N1(c2ccc(cc2)CN)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0969352
LogD (pH = 7.4)
-0.10902286
Log P
2.0574243
Molar Refractivity
61.102
Polarizability
23.346897
Polar Surface Area
29.26
Rotatable Bonds
2
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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