Chemical ID: 4259156

c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCc2c[nH]c-3nc(nc(=O)c3n2)N
Chemical ID:
4259156
Name [?]:
2-[4-[(2-amino-4-oxo-8H-pteridin-6-yl)methylamino]benzoyl]aminopentanedioic acid
SMILES [?]:
c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCc2c[nH]c-3nc(nc(=O)c3n2)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H19N7O6
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:11.0055
Area:693.363
Solvation:-6.32855
Coulombic:-139.782
Bond Count [?]
All:34
Single:23
Double:11
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:441.398
H-Bond Donors:6
H-Bond Acceptors:9
XLogP:-1.2
LogP (Chemaxon):-0.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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