Molecule

ID:129696

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₆N₂S
Molecular Mass
302.47744
Exact Mass
302.18166984
Charge
0
InChI
InChI=1S/C18H26N2S/c1-5-20-16-9-7-6-8-14(16)15-10-13-21-18(2,17(15)20)11-12-19(3)4/h6-9H,5,10-13H2,1-4H3
InChIKey
BRPOADLGOFPKKJ-UHFFFAOYSA-N
Canonic Smiles
CCn1c2ccccc2c2c1C(C)(SCC2)CCN(C)C
Isomeric Smiles
CCn1c2ccccc2c2CCSC(C)(CCN(C)C)c12
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.27727735
LogD (pH = 7.4)
1.7267493
Log P
3.5910244
Molar Refractivity
94.8129
Polarizability
37.7464
Polar Surface Area
8.17
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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