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Chemical structure of Antifungal agent 98

GC76719

Antifungal agent 98

Also known as 7-methyl-1H-indole-3-carbaldehyde

Antifungal agent 98 (compound 2) is an antifungal agent

ChemicalCAS4771-50-0MW159.18FormulaC10H9NO
CAS number
4771-50-0
Molecular weight
159.18
Formula
C10H9NO
Solubility
DMSO: 100 mg/mL (628·22 mM; Need ultrasonic)
InChIKey
KTUFZHVVJBHGKZ-UHFFFAOYSA-N
Catalogue number
GC76719
Brand
GLPBIO
Computed properties PubChem CID 260389 · XLogP 1.9 · TPSA 32.9 Ų · H-bond donors 1
XLogP
1.9
TPSA
32.9 Ų
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
12

SMILES CC1=C2C(=CC=C1)C(=CN2)C=O

Computed descriptors from PubChem (CID 260389), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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