Chemical ID: 7681507

Cc1cc(n(n1)c2cccc(c2)C(=O)O)O
Chemical ID:
7681507
Name [?]:
None
SMILES [?]:
Cc1cc(n(n1)c2cccc(c2)C(=O)O)O
InChi [?]:
InChI=1/C11H10N2O3/c1-7-5-10(14)13(12-7)9-4-2-3-8(6-9)11(15)16/h2-6,14H,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,9,10,8,3,12,2,11,7,4,13,6,5,16,14,15/E:(15,16)/rA:16nCCCCNNCCCCCCCOOO/rB:s1;s2;d3;s4;d2s5;s5;s7;d8;s9;d10;d7s11;s11;d13;s13;s4;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10N2O3
All Atoms:26
Heavy Atoms:16
Chiral Atoms:None
ZAP Information [?]
Total:6.89173
Area:392.452
Solvation:-2.91957
Coulombic:-48.63
Bond Count [?]
All:17
Single:11
Double:6
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.01
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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