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Chemical ID: 5116729
Chemical ID:
5116729
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2[nH]c-4c3CCc5c4cccc5
InChi [?]:
InChI=1/C20H15N/c1-3-7-15-13(5-1)9-11-17-18-12-10-14-6-2-4-8-16(14)20(18)21-19(15)17/h1-9,11,21H,10,12H2
InChi Info:
AuxInfo=1/0/N:1,20,2,19,6,21,3,18,7,15,8,14,5,16,4,17,9,13,10,12,11/rA:21nCCCCCCCCCCNCCCCCCCCCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;s9d12;s13;s14;s15;s12s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H15N |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.69608 |
Area: | 442.688 |
Solvation: | -1.37112 |
Coulombic: | -14.6434 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 269.34 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 5.42 |
LogP (Chemaxon): | 5.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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