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Chemical ID: 6424449
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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