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Chemical ID: 4772865
Chemical ID:
4772865
Name [?]:
1-(2-methoxy-4-nitro-phenyl)pyrrole
SMILES [?]:
COc1cc(ccc1n2cccc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C11H10N2O3/c1-16-11-8-9(13(14)15)4-5-10(11)12-6-2-3-7-12/h2-8H,1H3
InChi Info:
AuxInfo=1/0/N:1,11,12,6,7,10,13,4,5,8,3,9,14,15,16,2/E:(2,3)(6,7)(14,15)/CRV:13.5/rA:16nCOCCCCCCNCCCCN+OO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s11;s9d12;s5;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H10N2O3 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 1.78717 |
Area: | 386.689 |
Solvation: | -7.88005 |
Coulombic: | -22.9461 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 218.209 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.37 |
LogP (Chemaxon): | 2.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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