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Chemical ID: 6658759
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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