Name: aminopterin
SMILES:
Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2n1Molecular Processing
Molecular formula
C19H20N8O5
Molecular weight
440.42
Exact mass
440.1557
XLogP
0.24
TPSA
219.33
H-bond donors
6
H-bond acceptors
10
Rotatable bonds
9
Heavy atoms
32
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
113.48
Supplementary Information
Details werden geladen…
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