C1C2=C(C(=CC(=C2C(=O)N1)I)OCCCN)Cl.Cl
الاسم: 5-(3-aminopropoxy)-4-chloro-7-iodo-2,3-dihydroisoindol-1-one;hydrochloride
SMILES: C1C2=C(C(=CC(=C2C(=O)N1)I)OCCCN)Cl.Cl

Molecular Processing

Molecular formula
C11H13Cl2IN2O2
Molecular weight
403.05
Exact mass
401.9399
XLogP
2.34
TPSA
64.35
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.364
Molar refractivity
81.75

Supplementary Information

InChIKey: KNDPDEFBTKSJIN-UHFFFAOYSA-N
مرادفات
SCHEMBL3037150KNDPDEFBTKSJIN-UHFFFAOYSA-N4-Chloro-5-(3-aminopropoxy)-7-iodoisoindolinone hydrochloride
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