Chemical ID: 4712744

c1ccn(c1)c2c(ccs2)C#N
Chemical ID:
4712744
Name [?]:
2-pyrrol-1-ylthiophene-3-carbonitrile
SMILES [?]:
c1ccn(c1)c2c(ccs2)C#N
InChi [?]:
InChI=1/C9H6N2S/c10-7-8-3-6-12-9(8)11-4-1-2-5-11/h1-6H
InChi Info:
AuxInfo=1/0/N:1,2,8,5,3,9,11,7,6,12,4,10/E:(1,2)(4,5)/rA:12nCCCNCCCCCSCN/rB:s1;d2;s3;d1s4;s4;d6;s7;d8;s6s9;s7;t11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H6N2S
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.99487
Area:332.367
Solvation:-1.31432
Coulombic:-9.85064
Bond Count [?]
All:13
Single:8
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:174.223
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.76
LogP (Chemaxon):2.12

Name Annotations

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Descriptor Annotations

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