Molecule

ID:19098

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄N₂
Molecular Mass
232.36446
Exact Mass
232.19394878
Charge
0
InChI
InChI=1S/C15H24N2/c1-13-6-8-14(9-7-13)15(12-16)17-10-4-2-3-5-11-17/h6-9,15H,2-5,10-12,16H2,1H3
InChIKey
COBRLUMEMZKHLA-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccc(cc1)C)N1CCCCCC1
Isomeric Smiles
N1(C(c2ccc(cc2)C)CN)CCCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.67878157
LogD (pH = 7.4)
0.5849167
Log P
2.9857821
Molar Refractivity
74.0049
Polarizability
29.212206
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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