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Chemical ID: 6355036
Chemical ID:
6355036
Name [?]:
4-hexanoylaminobenzamide
SMILES [?]:
CCCCCC(=O)Nc1ccc(cc1)C(=O)N
InChi [?]:
InChI=1/C13H18N2O2/c1-2-3-4-5-12(16)15-11-8-6-10(7-9-11)13(14)17/h6-9H,2-5H2,1H3,(H2,14,17)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,11,13,10,14,12,9,6,15,17,8,7,16/E:(6,7)(8,9)/rA:17nCCCCCCONCCCCCCCON/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s12;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18N2O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.4335 |
Area: | 451.248 |
Solvation: | -2.84772 |
Coulombic: | -46.3826 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 234.294 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 2.12 |
LogP (Chemaxon): | 1.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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