名称: diamine
SMILES:
NCC(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cccc(OCc2ccccc2)c1Molecular Processing
Molecular formula
C27H25ClN2O2
Molecular weight
444.96
Exact mass
444.1605
XLogP
6.82
TPSA
56.51
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
32
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
130.6
Supplementary Information
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