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Chemical ID: 6693966
Chemical ID:
6693966
Name [?]:
7-nitro-1H-indazole
SMILES [?]:
c1cc2cn[nH]c2c(c1)N(=O)=O
InChi [?]:
InChI=1/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)
InChi Info:
AuxInfo=1/1/N:1,2,9,4,3,8,7,5,6,10,11,12/E:(11,12)/CRV:10.5/rA:12nCCCCNNCCCNOO/rB:s1;d2;s3;d4;s5;s3s6;d7;d1s8;s8;d10;d10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H5N3O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 0.751561 |
Area: | 305.372 |
Solvation: | -6.88273 |
Coulombic: | -21.5337 |
Bond Count [?]
All: | 13 |
Single: | 7 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 163.134 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.04 |
LogP (Chemaxon): | 1.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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