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Chemical ID: 4288885
Chemical ID:
4288885
Name [?]:
N-[(2,3-dimethoxyphenyl)methyl]-3,4-difluoro-aniline
SMILES [?]:
COc1cccc(c1OC)CNc2ccc(c(c2)F)F
InChi [?]:
InChI=1/C15H15F2NO2/c1-19-14-5-3-4-10(15(14)20-2)9-18-11-6-7-12(16)13(17)8-11/h3-8,18H,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,5,6,4,14,15,18,11,7,13,16,17,3,8,20,19,12,2,9/rA:20nCOCCCCCCOCCNCCCCCCFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s12;s13;d14;s15;d16;d13s17;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15F2NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.50313 |
Area: | 454.961 |
Solvation: | -5.8709 |
Coulombic: | -34.2102 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 279.282 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.26 |
LogP (Chemaxon): | 3.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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