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Chemical ID: 7712099
Chemical ID:
7712099
Name [?]:
None
SMILES [?]:
CCCc1c2ccccc2nc3c1cccc3
InChi [?]:
InChI=1/C16H15N/c1-2-7-12-13-8-3-5-10-15(13)17-16-11-6-4-9-14(12)16/h3-6,8-11H,2,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,15,8,16,3,6,14,9,17,4,5,13,10,12,11/E:(3,4)(5,6)(8,9)(10,11)(13,14)(15,16)/rA:17nCCCCCCCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;d11;d4s12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15N |
All Atoms: | 32 |
Heavy Atoms: | 17 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.77701 |
Area: | 397.205 |
Solvation: | -1.15311 |
Coulombic: | -8.79924 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.95 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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