Chemical ID: 7006690

Cc1cccc(c1)C(=O)NCCCCCC(=O)O
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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