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Chemical ID: 6432950
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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