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Chemical ID: 4670607
Chemical ID:
4670607
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C2=NCc3cccc4c3c2ccc4
InChi [?]:
InChI=1/C18H13N/c1-2-6-14(7-3-1)18-16-11-5-9-13-8-4-10-15(12-19-18)17(13)16/h1-11H,12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,12,18,3,5,13,19,11,17,9,14,4,10,16,15,7,8/E:(2,3)(6,7)/rA:19nCCCCCCCNCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s10;d11;s12;d13;d10s14;s7s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H13N |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.75317 |
Area: | 412.314 |
Solvation: | -1.55468 |
Coulombic: | -9.69676 |
Bond Count [?]
All: | 22 |
Single: | 13 |
Double: | 9 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 243.303 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.39 |
LogP (Chemaxon): | 4.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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