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Chemical ID: 4742108
Chemical ID:
4742108
Name [?]:
2-acetamido-6-methyl-benzoic acid
SMILES [?]:
Cc1cccc(c1C(=O)O)NC(=O)C
InChi [?]:
InChI=1/C10H11NO3/c1-6-4-3-5-8(11-7(2)12)9(6)10(13)14/h3-5H,1-2H3,(H,11,12)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,14,4,3,5,2,12,6,7,8,11,13,9,10/E:(13,14)/rA:14nCCCCCCCCOONCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s6;s11;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11NO3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.40115 |
Area: | 359.996 |
Solvation: | -2.59875 |
Coulombic: | -46.9169 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 193.199 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.97 |
LogP (Chemaxon): | 2.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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