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Chemical ID: 5125282
Chemical ID:
5125282
Name [?]:
1,2,3-triphenylcycloprop-2-ene-1-carbonitrile
SMILES [?]:
c1ccc(cc1)C2=C(C2(C#N)c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C22H15N/c23-16-22(19-14-8-3-9-15-19)20(17-10-4-1-5-11-17)21(22)18-12-6-2-7-13-18/h1-15H
InChi Info:
AuxInfo=1/0/N:1,21,15,2,6,20,22,14,16,3,5,19,23,13,17,10,4,18,12,7,8,9,11/E:(1,2)(4,5,6,7)(8,9)(10,11,12,13)(14,15)(17,18)(20,21)/rA:23nCCCCCCCCCCNCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7s8;s9;t10;s9;s12;d13;s14;d15;d12s16;s8;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H15N |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5904 |
Area: | 525.725 |
Solvation: | -1.55274 |
Coulombic: | -9.57438 |
Bond Count [?]
All: | 26 |
Single: | 15 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 293.361 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 5.42 |
LogP (Chemaxon): | 5.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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