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Chemical ID: 7520423
Chemical ID:
7520423
Name [?]:
2-(2-methylbutanoylamino)benzoic acid
SMILES [?]:
CCC(C)C(=O)Nc1ccccc1C(=O)O
InChi [?]:
InChI=1/C12H15NO3/c1-3-8(2)11(14)13-10-7-5-4-6-9(10)12(15)16/h4-8H,3H2,1-2H3,(H,13,14)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,4,2,11,10,12,9,3,13,8,5,14,7,6,15,16/E:(15,16)/rA:16cCCCCCONCCCCCCCOO/rB:s1;s2;s3;s3;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15NO3 |
All Atoms: | 31 |
Heavy Atoms: | 16 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.91443 |
Area: | 398.544 |
Solvation: | -2.04915 |
Coulombic: | -49.2405 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.65 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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