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Chemical ID: 4690747
Chemical ID:
4690747
Name [?]:
2-imidazol-1-ylbenzonitrile
SMILES [?]:
c1ccc(c(c1)C#N)n2ccnc2
InChi [?]:
InChI=1/C10H7N3/c11-7-9-3-1-2-4-10(9)13-6-5-12-8-13/h1-6,8H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,11,10,7,13,5,4,8,12,9/rA:13nCCCCCCCNNCCNC/rB:s1;d2;s3;d4;d1s5;s5;t7;s4;s9;d10;s11;s9d12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H7N3 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.32345 |
Area: | 334.232 |
Solvation: | -2.03236 |
Coulombic: | -14.0018 |
Bond Count [?]
All: | 14 |
Single: | 8 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 169.183 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.56 |
LogP (Chemaxon): | 1.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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