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Chemical ID: 7085762
Chemical ID:
7085762
Name [?]:
N-[(3-chlorophenyl)methyl]-2-fluoro-aniline
SMILES [?]:
c1ccc(c(c1)NCc2cccc(c2)Cl)F
InChi [?]:
InChI=1/C13H11ClFN/c14-11-5-3-4-10(8-11)9-16-13-7-2-1-6-12(13)15/h1-8,16H,9H2
InChi Info:
AuxInfo=1/0/N:2,1,11,10,12,3,6,14,8,9,13,4,5,15,16,7/rA:16nCCCCCCNCCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s13;s4;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11ClFN |
All Atoms: | 27 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.46719 |
Area: | 416.414 |
Solvation: | -1.94316 |
Coulombic: | -19.1526 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 235.684 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.16 |
LogP (Chemaxon): | 4.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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