Chemical ID: 5854327

Cc1cccc(c1)n2cccc2C=O
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

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