이름: 3,5-Bis(4-amidino-2-methoxyphenyl)isoxazole dihydrochloride
SMILES:
COc1cc(C(=N)N)ccc1-c1cc(-c2ccc(C(=N)N)cc2OC)on1.Cl.ClMolecular Processing
Molecular formula
C19H21Cl2N5O3
Molecular weight
438.32
Exact mass
437.1021
XLogP
3.44
TPSA
144.23
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
3
Fraction Csp3
0.105
Molar refractivity
117.01
Supplementary Information
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