Chemical ID: 6658759

c1ccc2c(c1)ccn2CCC#N
Chemical ID:
6658759
Name [?]:
3-indol-1-ylpropanenitrile
SMILES [?]:
c1ccc2c(c1)ccn2CCC#N
InChi [?]:
InChI=1/C11H10N2/c12-7-3-8-13-9-6-10-4-1-2-5-11(10)13/h1-2,4-6,9H,3,8H2
InChi Info:
AuxInfo=1/0/N:1,2,11,6,3,7,12,10,8,5,4,13,9/rA:13nCCCCCCCCNCCCN/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;s10;s11;t12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10N2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.19382
Area:354.54
Solvation:-1.66969
Coulombic:-9.11279
Bond Count [?]
All:14
Single:9
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:170.211
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.13
LogP (Chemaxon):2.76

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Experimental Annotations

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Descriptor Annotations

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