이름: 5-chloro-7-(3-ethoxyprop-1-yn-1-yl)-1,3-benzodioxol-4-amine
SMILES:
CCOCC#Cc1cc(Cl)c(N)c2c1OCO2Molecular Processing
Molecular formula
C12H12ClNO3
Molecular weight
253.68
Exact mass
253.0506
XLogP
2.04
TPSA
53.71
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
65.36
Supplementary Information
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