Chemical ID: 6515951

c1cc2c(cc1N)c(nnc2O)O
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

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Descriptor Annotations

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