Chemical ID: 5186441

c1cc(ccc1C(=O)NC(CCCC(=O)O)C(=O)O)NCc2cc3c(nc(nc3nc2)N)N
Chemical ID:
5186441
Name [?]:
2-[4-[(2,4-diamino-3,5,7-triazabicyclo[4.4.0]deca-2,4,6,8,10-pentaen-9-yl)methylamino]benzoyl]aminohexanedioic acid
SMILES [?]:
c1cc(ccc1C(=O)NC(CCCC(=O)O)C(=O)O)NCc2cc3c(nc(nc3nc2)N)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H23N7O5
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:11.899
Area:723.726
Solvation:-6.19412
Coulombic:-134.698
Bond Count [?]
All:35
Single:24
Double:11
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:453.452
H-Bond Donors:8
H-Bond Acceptors:9
XLogP:0.37
LogP (Chemaxon):-1.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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