Chemical ID: 6687903

Cn1ccnc1C=O
Chemical ID:
6687903
Name [?]:
1-methylimidazole-2-carbaldehyde
SMILES [?]:
Cn1ccnc1C=O
InChi [?]:
InChI=1/C5H6N2O/c1-7-3-2-6-5(7)4-8/h2-4H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,7,6,5,2,8/rA:8nCNCCNCCO/rB:s1;s2;d3;s4;s2d5;s6;d7;/rC:;;;;;;;;

Chemical Details

Atom Count
Formula:C5H6N2O
All Atoms:8
Heavy Atoms:8
Chiral Atoms:0
ZAP Information [?]
Total:3.43439
Area:256.689
Solvation:-2.98285
Coulombic:-17.8761
Bond Count [?]
All:8
Single:5
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:110.114
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:-0.03
LogP (Chemaxon):0.54

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Descriptor Annotations

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