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Chemical ID: 7105132
Chemical ID:
7105132
Name [?]:
N-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-ethanamine
SMILES [?]:
c1ccc(c(c1)CCNCc2cccc(c2)Cl)F
InChi [?]:
InChI=1/C15H15ClFN/c16-14-6-3-4-12(10-14)11-18-9-8-13-5-1-2-7-15(13)17/h1-7,10,18H,8-9,11H2
InChi Info:
AuxInfo=1/0/N:1,2,13,12,6,14,3,7,8,16,10,11,5,15,4,17,18,9/rA:18nCCCCCCCCNCCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s4;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15ClFN |
All Atoms: | 33 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.58884 |
Area: | 470.348 |
Solvation: | -2.16985 |
Coulombic: | -16.021 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 263.737 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.18 |
LogP (Chemaxon): | 4.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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