Chemical ID: 4690747

c1ccc(c(c1)C#N)n2ccnc2
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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