Chemical ID: 6708015

c1ccc2c(c1)ccc([nH+]2)C#N
Chemical ID:
6708015
Name [?]:
1H-quinoline-2-carbonitrile
SMILES [?]:
c1ccc2c(c1)ccc([nH+]2)C#N
InChi [?]:
InChI=1/C10H6N2/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-6H/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,8,11,5,9,4,12,10/rA:12nCCCCCCCCCN+CN/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;t11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H7N2+
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:-25.0418
Area:319.766
Solvation:-33.0359
Coulombic:3.25196
Bond Count [?]
All:13
Single:7
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:155.176
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.94
LogP (Chemaxon):2.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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