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Chemical ID: 6716088
Chemical ID:
6716088
Name [?]:
None
SMILES [?]:
c1cc(ccc1N2CC3C4CC(C3C2)C=C4)F
InChi [?]:
InChI=1/C15H16FN/c16-12-3-5-13(6-4-12)17-8-14-10-1-2-11(7-10)15(14)9-17/h1-6,10-11,14-15H,7-9H2
InChi Info:
AuxInfo=1/0/N:15,16,2,4,1,5,11,14,8,12,10,3,6,13,9,17,7/E:(1,2)(3,4)(5,6)(8,9)(10,11)(14,15)/rA:17cCCCCCCNCCCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s9s12;s7s13;s12;s10d15;s3;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16FN |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 7.58361 |
Area: | 383.28 |
Solvation: | -1.9984 |
Coulombic: | -12.0621 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 229.293 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.87 |
LogP (Chemaxon): | 3.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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