Molecule

ID:4458

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₆N₂
Molecular Mass
234.38034
Exact Mass
234.20959884
Charge
0
InChI
InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14-,15-/m0/s1
InChIKey
SLRCCWJSBJZJBV-AJNGGQMLSA-N
Canonic Smiles
C1CC[C@@H]2N(C1)C[C@@H]1C[C@H]2CN2[C@H]1CCCC2
Isomeric Smiles
N12[C@H]([C@H]3C[C@H]([C@H]4N(C3)CCCC4)C1)CCCC2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-3.3671618
LogD (pH = 7.4)
-0.38936847
Log P
2.0278275
Molar Refractivity
71.823
Polarizability
28.518066
Polar Surface Area
6.48
Rotatable Bonds
0
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
2.98
LOG S
-2.4
Solubility (Water)
9.31e-01 g/l
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
References
Bioactivity
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