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Chemical ID: 6367553
Chemical ID:
6367553
Name [?]:
4-chloro-N-(2-methoxy-4-nitro-phenyl)-butanamide
SMILES [?]:
COc1cc(ccc1NC(=O)CCCCl)[N+](=O)[O-]
InChi [?]:
InChI=1/C11H13ClN2O4/c1-18-10-7-8(14(16)17)4-5-9(10)13-11(15)3-2-6-12/h4-5,7H,2-3,6H2,1H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,13,12,6,7,14,4,5,8,3,10,15,9,16,11,17,18,2/E:(16,17)/CRV:14.5/rA:18nCOCCCCCCNCOCCCClN+OO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;s5;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13ClN2O4 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.09291 |
Area: | 470.56 |
Solvation: | -8.6711 |
Coulombic: | -37.5263 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 272.685 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.91 |
LogP (Chemaxon): | 2.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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