Molecule

ID:62034

General Information
Structure
Molecular Formula
C₁₇H₂₆N₂
Molecular Mass
258.40174
Exact Mass
258.20959884
Charge
0
InChI
InChI=1S/C17H26N2/c1-19-11-7-3-6-10-16-17(19)13-15(18-16)12-14-8-4-2-5-9-14/h2,4-5,8-9,15-18H,3,6-7,10-13H2,1H3/t15-,16-,17+/m1/s1
InChIKey
RBPWJGKAFDHQIB-ZACQAIPSSA-N
Canonic Smiles
CN1CCCCC[C@@H]2[C@@H]1C[C@H](N2)Cc1ccccc1
Isomeric Smiles
N1[C@H]2[C@@H](N(C)CCCCC2)C[C@H]1Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8520063
LogD (pH = 7.4)
-0.1162195
Log P
3.2015712
Molar Refractivity
80.7301
Polarizability
32.166748
Polar Surface Area
15.27
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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