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Chemical ID: 6351666
Chemical ID:
6351666
Name [?]:
N-(3-nitrophenyl)nonanamide
SMILES [?]:
CCCCCCCCC(=O)Nc1cccc(c1)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H22N2O3/c1-2-3-4-5-6-7-11-15(18)16-13-9-8-10-14(12-13)17(19)20/h8-10,12H,2-7,11H2,1H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,6,7,14,13,15,8,17,12,16,9,11,18,10,19,20/E:(19,20)/CRV:17.5/rA:20nCCCCCCCCCONCCCCCCN+OO-/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22N2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.76373 |
Area: | 526.735 |
Solvation: | -7.40464 |
Coulombic: | -32.978 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 278.347 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.71 |
LogP (Chemaxon): | 4.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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