C1=C2C(=CC(=C1Cl)Cl)N(C(=C2C=O)Cl)C3C(C(C(O3)CO)O)O
이름: 2,5,6-trichloro-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]indole-3-carbaldehyde
SMILES: C1=C2C(=CC(=C1Cl)Cl)N(C(=C2C=O)Cl)C3C(C(C(O3)CO)O)O

Molecular Processing

Molecular formula
C14H12Cl3NO5
Molecular weight
380.61
Exact mass
378.9781
XLogP
2.03
TPSA
91.92
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
85.36

Supplementary Information

InChIKey: QJLFDUROSXZMQK-HKUMRIAESA-N
동의어
FTCRISCHEMBL1626289QJLFDUROSXZMQK-HKUMRIAESA-N2,5,6-Trichloro-3-formyl-1-(beta-D-ribofuranosyl)indole2,5,6-Trichloro-1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-indole-3-carbaldehyde2,5,6-trichloro-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]indole-3-carbaldehyde
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