Chemical ID: 5302122

C#CCn1cnc2c1cccc2
Chemical ID:
5302122
Name [?]:
1-prop-2-ynylbenzoimidazole
SMILES [?]:
C#CCn1cnc2c1cccc2
InChi [?]:
InChI=1/C10H8N2/c1-2-7-12-8-11-9-5-3-4-6-10(9)12/h1,3-6,8H,7H2
InChi Info:
AuxInfo=1/0/N:1,2,11,10,12,9,3,5,7,8,6,4/rA:12nCCCNCNCCCCCC/rB:t1;s2;s3;s4;d5;s6;s4s7;d8;s9;d10;d7s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H8N2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.35302
Area:324.831
Solvation:-1.76775
Coulombic:-14.22
Bond Count [?]
All:13
Single:8
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:156.184
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.89
LogP (Chemaxon):2.07

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Experimental Annotations

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Descriptor Annotations

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