Chemical ID: 4734896

CCCCc1[nH]cc(n1)C=O
Chemical ID:
4734896
Name [?]:
2-butyl-1H-imidazole-4-carbaldehyde
SMILES [?]:
CCCCc1[nH]cc(n1)C=O
InChi [?]:
InChI=1/C8H12N2O/c1-2-3-4-8-9-5-7(6-11)10-8/h5-6H,2-4H2,1H3,(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,7,10,8,5,6,9,11/rA:11nCCCCCNCCNCO/rB:s1;s2;s3;s4;s5;s6;d7;d5s8;s8;d10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H12N2O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.38906
Area:338.919
Solvation:-3.08392
Coulombic:-22.3037
Bond Count [?]
All:11
Single:8
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:152.194
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.61
LogP (Chemaxon):1.89

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Descriptor Annotations

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