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Chemical ID: 4564679
Chemical ID:
4564679
Name [?]:
None
SMILES [?]:
c1cc(=O)oc2c1c3cc[nH]c3cc2
InChi [?]:
InChI=1/C11H7NO2/c13-11-4-1-8-7-5-6-12-9(7)2-3-10(8)14-11/h1-6,12H
InChi Info:
AuxInfo=1/0/N:1,13,14,2,9,10,8,7,12,6,3,11,4,5/rA:14nCCCOOCCCCCNCCC/rB:d1;s2;d3;s3;s5;s1s6;d7;s8;d9;s10;s8s11;d12;d6s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H7NO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.98873 |
Area: | 333.129 |
Solvation: | -2.3395 |
Coulombic: | -29.2741 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 185.179 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.93 |
LogP (Chemaxon): | 2.51 |
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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