AB52366
59-05-2 | Methotrexate
Manufacturer: A2B Chem
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CatalogNumber
AB52366
ChemicalName
Methotrexate
CasNumber
59-05-2
MolecularFormula
C20H22N8O5
MolecularWeight
454.4393
MdlNumber
MFCD00150847
Smiles
OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C
NscNumber
740
Complexity
704
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
33
HydrogenBondAcceptorCount
12
HydrogenBondDonorCount
5
RotatableBondCount
9
Xlogp3
-1.8
