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Chemical ID: 7105205
Chemical ID:
7105205
Name [?]:
1-(3,5-dichloro-2-ethoxy-phenyl)-N-[(4-fluorophenyl)methyl]methanamine
SMILES [?]:
CCOc1c(cc(cc1Cl)Cl)CNCc2ccc(cc2)F
InChi [?]:
InChI=1/C16H16Cl2FNO/c1-2-21-16-12(7-13(17)8-15(16)18)10-20-9-11-3-5-14(19)6-4-11/h3-8,20H,2,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,16,20,17,19,6,8,14,12,15,5,7,18,9,4,11,10,21,13,3/E:(3,4)(5,6)/rA:21nCCOCCCCCCClClCNCCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;s5;s12;s13;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16Cl2FNO |
All Atoms: | 37 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.95075 |
Area: | 528.97 |
Solvation: | -3.27349 |
Coulombic: | -22.5128 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 328.208 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.99 |
LogP (Chemaxon): | 4.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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