Chemical ID: 4764418

CN(C)CC#Cc1cc(cnc1)C#N
Chemical ID:
4764418
Name [?]:
5-(3-dimethylaminoprop-1-ynyl)pyridine-3-carbonitrile
SMILES [?]:
CN(C)CC#Cc1cc(cnc1)C#N
InChi [?]:
InChI=1/C11H11N3/c1-14(2)5-3-4-10-6-11(7-12)9-13-8-10/h6,8-9H,5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,5,6,4,8,13,12,10,7,9,14,11,2/E:(1,2)/rA:14nCNCCCCCCCCNCCN/rB:s1;s2;s2;s4;t5;s6;s7;d8;s9;d10;d7s11;s9;t13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11N3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.91842
Area:402.414
Solvation:-2.14192
Coulombic:-13.1068
Bond Count [?]
All:14
Single:9
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:185.225
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.9
LogP (Chemaxon):0.86

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Descriptor Annotations

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