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Chemical ID: 6515951
Chemical ID:
6515951
Name [?]:
6-aminophthalazine-1,4-diol
SMILES [?]:
c1cc2c(cc1N)c(nnc2O)O
InChi [?]:
InChI=1/C8H7N3O2/c9-4-1-2-5-6(3-4)8(13)11-10-7(5)12/h1-3H,9H2,(H,10,12)(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,3,4,11,8,7,10,9,12,13/rA:13nCCCCCCNCNNCOO/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s9;s3d10;s11;s8;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H7N3O2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.30822 |
Area: | 323.961 |
Solvation: | -2.79082 |
Coulombic: | -53.9382 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 177.16 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 3 |
XLogP: | -0.24 |
LogP (Chemaxon): | 0.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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