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Chemical ID: 7654798
Chemical ID:
7654798
Name [?]:
None
SMILES [?]:
c1cc(ccc1C2CCNCC2CO)F
InChi [?]:
InChI=1/C12H16FNO/c13-11-3-1-9(2-4-11)12-5-6-14-7-10(12)8-15/h1-4,10,12,14-15H,5-8H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,8,9,11,13,6,12,3,7,15,10,14/E:(1,2)(3,4)/rA:15cCCCCCCCCCNCCCOF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s7s11;s12;s13;s3;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16FNO |
All Atoms: | 31 |
Heavy Atoms: | 15 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 5.98055 |
Area: | 362.743 |
Solvation: | -3.08804 |
Coulombic: | -30.3113 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.39 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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