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Triptobenzene N
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NAMES
  • triptobenzene N
SMILES
CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@@](C)(CO)C(=O)CC[C@]21C
InChI
InChI=1S/C20H26O3/c1-12(2)13-5-6-15-14(9-13)16(22)10-17-19(15,3)8-7-18(23)20(17,4)11-21/h5-6,9,12,17,21H,7-8,10-11H2,1-4H3/t17-,19-,20-/m1/s1
MOLECULAR FORMULA
C20H26O3
CROSS REFERENCES
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Triptobenzene N

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 314.19
AlogP 3.63
HBond donors 1
HBond acceptors 3
Atoms 49
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Triptobenzene N.