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Chemical ID: 5012509
Chemical ID:
5012509
Name [?]:
2-[(2-fluorophenyl)methyl]azepane
SMILES [?]:
c1ccc(c(c1)CC2CCCCCN2)F
InChi [?]:
InChI=1/C13H18FN/c14-13-8-4-3-6-11(13)10-12-7-2-1-5-9-15-12/h3-4,6,8,12,15H,1-2,5,7,9-10H2
InChi Info:
AuxInfo=1/0/N:11,10,1,2,12,6,9,3,13,7,5,8,4,15,14/rA:15cCCCCCCCCCCCCCNF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s12;s8s13;s4;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18FN |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.82663 |
Area: | 373.602 |
Solvation: | -1.51343 |
Coulombic: | -14.9016 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 207.287 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.11 |
LogP (Chemaxon): | 3.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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