Chemical ID: 6424449

c1cc(c2c(c1)[nH]cc2CC#N)CC#N
Chemical ID:
6424449
Name [?]:
2-[4-(cyanomethyl)-1H-indol-3-yl]acetonitrile
SMILES [?]:
c1cc(c2c(c1)[nH]cc2CC#N)CC#N
InChi [?]:
InChI=1/C12H9N3/c13-6-4-9-2-1-3-11-12(9)10(5-7-14)8-15-11/h1-3,8,15H,4-5H2
InChi Info:
AuxInfo=1/0/N:1,2,6,13,10,14,11,8,3,9,5,4,15,12,7/rA:15nCCCCCCNCCCCNCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s9;s10;t11;s3;s13;t14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9N3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.87234
Area:376.459
Solvation:-2.53912
Coulombic:-15.2846
Bond Count [?]
All:16
Single:10
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:195.22
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.17
LogP (Chemaxon):2.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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