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Chemical ID: 7600816
Chemical ID:
7600816
Name [?]:
None
SMILES [?]:
Cc1c2ccccc2nc3c1c4ccccc4cc3
InChi [?]:
InChI=1/C18H13N/c1-12-14-7-4-5-9-16(14)19-17-11-10-13-6-2-3-8-15(13)18(12)17/h2-11H,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,5,6,16,4,13,7,18,19,2,17,3,12,8,10,11,9/rA:19nCCCCCCCCNCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;d2s10;s11;s12;d13;s14;d15;d12s16;s17;s10d18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H13N |
All Atoms: | 32 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.79519 |
Area: | 404.904 |
Solvation: | -1.32741 |
Coulombic: | -8.85074 |
Bond Count [?]
All: | 22 |
Single: | 13 |
Double: | 9 |
Rotors: | 0 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.18 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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