Chemical ID: 6432950

CCCCCCCCC(=O)Nc1ccccc1C(=O)O
Chemical ID:
6432950
Name [?]:
2-nonanoylaminobenzoic acid
SMILES [?]:
CCCCCCCCC(=O)Nc1ccccc1C(=O)O
InChi [?]:
InChI=1/C16H23NO3/c1-2-3-4-5-6-7-12-15(18)17-14-11-9-8-10-13(14)16(19)20/h8-11H,2-7,12H2,1H3,(H,17,18)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,6,7,15,14,16,13,8,17,12,9,18,11,10,19,20/E:(19,20)/rA:20nCCCCCCCCCONCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H23NO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.8404
Area:520.0
Solvation:-2.15957
Coulombic:-50.0739
Bond Count [?]
All:20
Single:15
Double:5
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:277.359
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:5.2
LogP (Chemaxon):4.54

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Descriptor Annotations

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