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Chemical ID: 6525634
Chemical ID:
6525634
Name [?]:
N-(2-fluoro-5-nitro-phenyl)heptanamide
SMILES [?]:
CCCCCCC(=O)Nc1cc(ccc1F)[N+](=O)[O-]
InChi [?]:
InChI=1/C13H17FN2O3/c1-2-3-4-5-6-13(17)15-12-9-10(16(18)19)7-8-11(12)14/h7-9H,2-6H2,1H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,6,13,14,11,12,15,10,7,16,9,17,8,18,19/E:(18,19)/CRV:16.5/rA:19nCCCCCCCONCCCCCCFN+OO-/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s12;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H17FN2O3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.32778 |
Area: | 477.802 |
Solvation: | -7.61727 |
Coulombic: | -35.2994 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 268.284 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.74 |
LogP (Chemaxon): | 3.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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