Chemical ID: 7712689

Cc1ccccc1CNC(=O)C=CC(=O)O
Chemical ID:
7712689
Name [?]:
None
SMILES [?]:
Cc1ccccc1CNC(=O)C=CC(=O)O
InChi [?]:
InChI=1/C12H13NO3/c1-9-4-2-3-5-10(9)8-13-11(14)6-7-12(15)16/h2-7H,8H2,1H3,(H,13,14)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,12,13,8,2,7,10,14,9,11,15,16/E:(15,16)/rA:16nCCCCCCCCNCOCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;w12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13NO3
All Atoms:29
Heavy Atoms:16
Chiral Atoms:None
ZAP Information [?]
Total:6.71241
Area:409.257
Solvation:-3.51902
Coulombic:-47.5108
Bond Count [?]
All:16
Single:10
Double:6
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.52
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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