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Chemical ID: 7118190
Chemical ID:
7118190
Name [?]:
5-nitro-1H-quinolin-8-ol
SMILES [?]:
c1cc2c(ccc(c2[nH+]c1)O)[N+](=O)[O-]
InChi [?]:
InChI=1/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H/p+1
InChi Info:
AuxInfo=1/1/N:1,2,5,6,10,3,4,7,8,9,12,11,13,14/E:(13,14)/CRV:11.5/rA:14nCCCCCCCCN+CON+OO-/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s7;s4;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H7N2O3+ |
All Atoms: | 21 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -32.9564 |
Area: | 334.934 |
Solvation: | -41.3297 |
Coulombic: | -13.8069 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 191.164 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.49 |
LogP (Chemaxon): | 1.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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