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Chemical ID: 5854327
Chemical ID:
5854327
Name [?]:
1-(m-tolyl)pyrrole-2-carbaldehyde
SMILES [?]:
Cc1cccc(c1)n2cccc2C=O
InChi [?]:
InChI=1/C12H11NO/c1-10-4-2-5-11(8-10)13-7-3-6-12(13)9-14/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,10,3,5,11,9,7,13,2,6,12,8,14/rA:14nCCCCCCCNCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s8d11;s12;d13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H11NO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.03712 |
Area: | 360.83 |
Solvation: | -1.98364 |
Coulombic: | -14.4262 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 185.222 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.83 |
LogP (Chemaxon): | 2.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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