Chemical ID: 3964391

c1cc2c(cc[nH]2)cc1C#N
Chemical ID:
3964391
Name [?]:
1H-indole-5-carbonitrile
SMILES [?]:
c1cc2c(cc[nH]2)cc1C#N
InChi [?]:
InChI=1/C9H6N2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,11H
InChi Info:
AuxInfo=1/0/N:1,2,5,6,8,10,9,4,3,11,7/rA:11nCCCCCCNCCCN/rB:s1;d2;s3;s4;d5;s3s6;d4;d1s8;s9;t10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H6N2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.31017
Area:304.899
Solvation:-1.31231
Coulombic:-14.6831
Bond Count [?]
All:12
Single:7
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:142.157
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.9
LogP (Chemaxon):2.26

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Descriptor Annotations

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