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Chemical ID: 7006690
Chemical ID:
7006690
Name [?]:
6-(3-methylbenzoyl)aminohexanoic acid
SMILES [?]:
Cc1cccc(c1)C(=O)NCCCCCC(=O)O
InChi [?]:
InChI=1/C14H19NO3/c1-11-6-5-7-12(10-11)14(18)15-9-4-2-3-8-13(16)17/h5-7,10H,2-4,8-9H2,1H3,(H,15,18)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,13,14,12,4,3,5,15,11,7,2,6,16,8,10,17,18,9/E:(16,17)/rA:18nCCCCCCCCONCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;s12;s13;s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19NO3 |
All Atoms: | 37 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.25279 |
Area: | 482.921 |
Solvation: | -2.82024 |
Coulombic: | -48.9216 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 249.306 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.48 |
LogP (Chemaxon): | 2.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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