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Axinisothiocyanate D
FEATURES
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NAMES
  • Axinisothiocyanate D
SMILES
CC(C)[C@@]1(O)CC[C@](C)(N=S)[C@@H]2CC[C@@](C)(O)C=C21
InChI
InChI=1S/C15H25NO2S/c1-10(2)15(18)8-7-14(4,16-19)11-5-6-13(3,17)9-12(11)15/h9-11,17-18H,5-8H2,1-4H3/t11-,13-,14+,15+/m1/s1
MOLECULAR FORMULA
C15H25NO2S
CROSS REFERENCES
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Axinisothiocyanate D

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 283.16
AlogP 2.74
HBond donors 2
HBond acceptors 3
Atoms 44
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Axinisothiocyanate D.