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Chemical ID: 4558984
Chemical ID:
4558984
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)c2c3c(ccn2)c4ccccc4[nH]3
InChi [?]:
InChI=1/C18H14N2/c1-12-6-8-13(9-7-12)17-18-15(10-11-19-17)14-4-2-3-5-16(14)20-18/h2-11,20H,1H3
InChi Info:
AuxInfo=1/0/N:1,16,17,15,18,3,7,4,6,11,12,2,5,14,10,19,8,9,13,20/E:(6,7)(8,9)/rA:20nCCCCCCCCCCCCNCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;d8s12;s10;s14;d15;s16;d17;d14s18;s9s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14N2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.43573 |
Area: | 442.273 |
Solvation: | -1.6211 |
Coulombic: | -19.1694 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 258.317 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.74 |
LogP (Chemaxon): | 5.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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