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Chemical ID: 7712689
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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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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