Chemical ID: 6046665

COc1c2cc[nH]c2nc(n1)O
Chemical ID:
6046665
Name [?]:
2-methoxy-3,5,7-triazabicyclo[4.3.0]nona-2,4,8,10-tetraen-4-ol
SMILES [?]:
COc1c2cc[nH]c2nc(n1)O
InChi [?]:
InChI=1/C7H7N3O2/c1-12-6-4-2-3-8-5(4)9-7(11)10-6/h2-3H,1H3,(H2,8,9,10,11)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,8,3,10,7,9,11,12,2/rA:12nCOCCCCNCNCNO/rB:s1;s2;s3;s4;d5;s6;d4s7;s8;d9;d3s10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H7N3O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.5102
Area:311.501
Solvation:-2.27733
Coulombic:-48.8156
Bond Count [?]
All:13
Single:9
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:165.15
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.58
LogP (Chemaxon):1.59

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