이름: tris(phenothiazin-3-ylidene(dipropyl)azanium);triiodide
SMILES:
CCC[N+](=C1C=CC2=NC3=CC=CC=C3SC2=C1)CCC.CCC[N+](=C1C=CC2=NC3=CC=CC=C3SC2=C1)CCC.CCC[N+](=C1C=CC2=NC3=CC=CC=C3SC2=C1)CCC.[I-].[I-].[I-]Molecular Processing
Molecular formula
C54H63I3N6S3
Molecular weight
1273.05
Exact mass
1272.1411
XLogP
2.99
TPSA
47.7
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
12
Heavy atoms
66
Rings
9
Aromatic rings
3
Saturated rings
0
Aliphatic rings
6
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
6
Fraction Csp3
0.333
Molar refractivity
275.48
Supplementary Information
InChIKey: VAORYJOEOVLCMI-UHFFFAOYSA-K
동의어
SCHEMBL1471043VAORYJOEOVLCMI-UHFFFAOYSA-K3-(N,N-dipropylamino)-phenothiazin-5-ium triiodide
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