Chemical ID: 6471200

CCCCCC(=O)Nc1ccccc1C(=O)O
Chemical ID:
6471200
Name [?]:
2-hexanoylaminobenzoic acid
SMILES [?]:
CCCCCC(=O)Nc1ccccc1C(=O)O
InChi [?]:
InChI=1/C13H17NO3/c1-2-3-4-9-12(15)14-11-8-6-5-7-10(11)13(16)17/h5-8H,2-4,9H2,1H3,(H,14,15)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,12,11,13,10,5,14,9,6,15,8,7,16,17/E:(16,17)/rA:17nCCCCCCONCCCCCCCOO/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17NO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.8403
Area:439.16
Solvation:-2.13871
Coulombic:-49.1638
Bond Count [?]
All:17
Single:12
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:235.279
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.49
LogP (Chemaxon):3.36

Name Annotations

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Descriptor Annotations

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