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Chemical ID: 7108973
Chemical ID:
7108973
Name [?]:
1-(5-chloro-2-methoxy-phenyl)-N-[(4-fluorophenyl)methyl]methanamine
SMILES [?]:
COc1ccc(cc1CNCc2ccc(cc2)F)Cl
InChi [?]:
InChI=1/C15H15ClFNO/c1-19-15-7-4-13(16)8-12(15)10-18-9-11-2-5-14(17)6-3-11/h2-8,18H,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,17,5,14,16,4,7,11,9,12,8,6,15,3,19,18,10,2/E:(2,3)(5,6)/rA:19nCOCCCCCCCNCCCCCCCFCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s6;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15ClFNO |
All Atoms: | 34 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.61016 |
Area: | 476.997 |
Solvation: | -3.31476 |
Coulombic: | -21.9819 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 279.737 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.94 |
LogP (Chemaxon): | 3.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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