Chemical ID: 7655174

COc1cccc2c1[nH]cc2C(=O)O
Chemical ID:
7655174
Name [?]:
None
SMILES [?]:
COc1cccc2c1[nH]cc2C(=O)O
InChi [?]:
InChI=1/C10H9NO3/c1-14-8-4-2-3-6-7(10(12)13)5-11-9(6)8/h2-5,11H,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,10,7,11,3,8,12,9,13,14,2/E:(12,13)/rA:14nCOCCCCCCNCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7d10;s11;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9NO3
All Atoms:23
Heavy Atoms:14
Chiral Atoms:None
ZAP Information [?]
Total:5.75665
Area:347.993
Solvation:-2.94318
Coulombic:-46.1016
Bond Count [?]
All:15
Single:10
Double:5
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.62
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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