Chemical ID: 4913439

c1cnc(c2c1n(cn2)C3C=C(C(C3O)O)CO)N
Chemical ID:
4913439
Name [?]:
4-(2-amino-3,7,9-triazabicyclo[4.3.0]nona-1,3,5,8-tetraen-7-yl)-2-(hydroxymethyl)cyclopent-2-ene-1,5-diol
SMILES [?]:
c1cnc(c2c1n(cn2)C3C=C(C(C3O)O)CO)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H14N4O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:3
ZAP Information [?]
Total:5.34071
Area:430.894
Solvation:-5.43163
Coulombic:-82.81
Bond Count [?]
All:21
Single:16
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:262.265
H-Bond Donors:5
H-Bond Acceptors:4
XLogP:-1.05
LogP (Chemaxon):-0.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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