Molecule

ID:28457

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂
Molecular Mass
214.30612
Exact Mass
214.14699859
Charge
0
InChI
InChI=1S/C14H18N2/c1-2-4-13(3-1)16-10-11-5-6-12-7-8-15-14(12)9-11/h5-9,13,15-16H,1-4,10H2
InChIKey
QHDSREFSRVFBBS-UHFFFAOYSA-N
Canonic Smiles
C1CCC(C1)NCc1ccc2c(c1)[nH]cc2
Isomeric Smiles
c12[nH]ccc1ccc(c2)CNC1CCCC1
Calculated Properties
JChem
Acid pKa
16.347221
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-0.23682047
LogD (pH = 7.4)
0.42090175
Log P
2.9850585
Molar Refractivity
66.8057
Polarizability
27.488956
Polar Surface Area
27.82
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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