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Chemical ID: 6497986
Chemical ID:
6497986
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c(c(=O)o2)nc[nH]3
InChi [?]:
InChI=1/C10H6N2O2/c13-10-9-8(11-5-12-9)6-3-1-2-4-7(6)14-10/h1-5H,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,13,5,4,7,8,9,14,12,10,11/rA:14nCCCCCCCCCOONCN/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s4s9;s8;d12;s7s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H6N2O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.05255 |
Area: | 330.542 |
Solvation: | -2.211 |
Coulombic: | -36.4548 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 186.167 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.72 |
LogP (Chemaxon): | 1.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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