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Chemical ID: 4634089
Chemical ID:
4634089
Name [?]:
None
SMILES [?]:
c1ccc-2c(c1)CCc3c2[nH]c4c3cccc4
InChi [?]:
InChI=1/C16H13N/c1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14/h1-8,17H,9-10H2
InChi Info:
AuxInfo=1/0/N:1,2,15,16,6,3,14,17,7,8,5,4,13,9,12,10,11/rA:17nCCCCCCCCCCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4d9;s10;s11;s9s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13N |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.43326 |
Area: | 384.5 |
Solvation: | -1.17925 |
Coulombic: | -13.6973 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 219.281 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.16 |
LogP (Chemaxon): | 4.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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