Molecule

ID:74642

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁N₃S
Molecular Mass
275.41234
Exact Mass
275.14561869
Charge
0
InChI
InChI=1S/C15H21N3S/c1-15(2,3)18-14(19)16-9-8-11-10-17-13-7-5-4-6-12(11)13/h4-7,10,17H,8-9H2,1-3H3,(H2,16,18,19)
InChIKey
MZCZDHNBJCIRBF-UHFFFAOYSA-N
Canonic Smiles
S=C(NC(C)(C)C)NCCc1c[nH]c2c1cccc2
Isomeric Smiles
[nH]1cc(c2c1cccc2)CCNC(=S)NC(C)(C)C
Calculated Properties
JChem
Acid pKa
-3.0000033
H Acceptors
0
H Donor
3
LogD (pH = 5.5)
3.1392403
LogD (pH = 7.4)
3.1392326
Log P
3.1392438
Molar Refractivity
85.1866
Polarizability
34.226013
Polar Surface Area
39.85
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
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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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