C1=CC=C(C=C1)C(=O)N2C(=O)C(=CN(C2=O)CCCCl)I
名称: 3-benzoyl-1-(3-chloropropyl)-5-iodopyrimidine-2,4-dione
SMILES: C1=CC=C(C=C1)C(=O)N2C(=O)C(=CN(C2=O)CCCCl)I

Molecular Processing

Molecular formula
C14H12ClIN2O3
Molecular weight
418.62
Exact mass
417.9581
XLogP
1.93
TPSA
61.07
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
89.19

Supplementary Information

InChIKey: WZUVCQPSNHIARG-UHFFFAOYSA-N
同義語
SCHEMBL3559036WZUVCQPSNHIARG-UHFFFAOYSA-N3-Benzoyl-1-(3-chloro-propyl)-5-iodo-1H-pyrimidine-2,4-dione
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