Chemical ID: 4690752

COC(=O)c1ccc(cc1)n2ccnc2
Chemical ID:
4690752
Name [?]:
methyl 4-imidazol-1-ylbenzoate
SMILES [?]:
COC(=O)c1ccc(cc1)n2ccnc2
InChi [?]:
InChI=1/C11H10N2O2/c1-15-11(14)9-2-4-10(5-3-9)13-7-6-12-8-13/h2-8H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,10,7,9,13,12,15,5,8,3,14,11,4,2/E:(2,3)(4,5)/rA:15nCOCOCCCCCCNCCNC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;s11d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10N2O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.82388
Area:381.014
Solvation:-2.70146
Coulombic:-29.5505
Bond Count [?]
All:16
Single:10
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:202.209
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.77
LogP (Chemaxon):0.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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