Chemical ID: 6523854

CCCCC(CC)C(=O)Nc1ccc(cc1[N+](=O)[O-])Cl
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

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Descriptor Annotations

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