Molecule

ID:16808

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂
Molecular Mass
190.28472
Exact Mass
190.14699859
Charge
0
InChI
InChI=1S/C12H18N2/c13-12-5-3-11(4-6-12)7-10-14-8-1-2-9-14/h3-6H,1-2,7-10,13H2
InChIKey
WAOKZNBDXFOXSA-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)CCN1CCCC1
Isomeric Smiles
c1(CCN2CCCC2)ccc(cc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.687632
LogD (pH = 7.4)
-0.6195197
Log P
1.7801753
Molar Refractivity
61.5971
Polarizability
23.27045
Polar Surface Area
29.26
Rotatable Bonds
3
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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