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Chemical ID: 6523854
Chemical ID:
6523854
Name [?]:
N-(4-chloro-2-nitro-phenyl)-2-ethyl-hexanamide
SMILES [?]:
CCCCC(CC)C(=O)Nc1ccc(cc1[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C14H19ClN2O3/c1-3-5-6-10(4-2)14(18)16-12-8-7-11(15)9-13(12)17(19)20/h7-10H,3-6H2,1-2H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,7,2,6,3,4,13,12,15,5,14,11,16,8,20,10,17,9,18,19/E:(19,20)/CRV:17.5/rA:20cCCCCCCCCONCCCCCCN+OO-Cl/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;d17;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19ClN2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.7331 |
Area: | 509.147 |
Solvation: | -5.99558 |
Coulombic: | -34.781 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 298.765 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.13 |
LogP (Chemaxon): | 4.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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