Chemical ID: 6354066

CCCCC(=O)Nc1ccc(cc1[N+](=O)[O-])OC
Chemical ID:
6354066
Name [?]:
N-(4-methoxy-2-nitro-phenyl)pentanamide
SMILES [?]:
CCCCC(=O)Nc1ccc(cc1[N+](=O)[O-])OC
InChi [?]:
InChI=1/C12H16N2O4/c1-3-4-5-12(15)13-10-7-6-9(18-2)8-11(10)14(16)17/h6-8H,3-5H2,1-2H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,18,2,3,4,10,9,12,11,8,13,5,7,14,6,15,16,17/E:(16,17)/CRV:14.5/rA:18nCCCCCONCCCCCCN+OO-OC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;d14;s14;s11;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16N2O4
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:4.39483
Area:449.812
Solvation:-6.85046
Coulombic:-40.1794
Bond Count [?]
All:18
Single:13
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:252.267
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.99
LogP (Chemaxon):2.49

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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