Chemical ID: 5142782

c1c2conc2cc3c1OCO3
Chemical ID:
5142782
Name [?]:
None
SMILES [?]:
c1c2conc2cc3c1OCO3
InChi [?]:
InChI=1/C8H5NO3/c1-5-3-12-9-6(5)2-8-7(1)10-4-11-8/h1-3H,4H2
InChi Info:
AuxInfo=1/0/N:1,7,3,11,2,6,9,8,5,10,12,4/rA:12nCCCONCCCCOCO/rB:s1;d2;s3;s4;s2d5;s6;d7;d1s8;s9;s10;s8s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H5NO3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:4.02017
Area:296.902
Solvation:-3.40238
Coulombic:-18.3361
Bond Count [?]
All:14
Single:10
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:163.13
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.17
LogP (Chemaxon):1.64

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Experimental Annotations

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Descriptor Annotations

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