이름: trimetrexate
SMILES:
COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OCMolecular Processing
Molecular formula
C19H23N5O3
Molecular weight
369.43
Exact mass
369.1801
XLogP
2.74
TPSA
117.54
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
106.52
Supplementary Information
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