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Chemical ID: 7085808
Chemical ID:
7085808
Name [?]:
N-[(2-fluorophenyl)methyl]-4-phenoxy-aniline
SMILES [?]:
c1ccc(cc1)Oc2ccc(cc2)NCc3ccccc3F
InChi [?]:
InChI=1/C19H16FNO/c20-19-9-5-4-6-15(19)14-21-16-10-12-18(13-11-16)22-17-7-2-1-3-8-17/h1-13,21H,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,18,19,17,3,5,20,10,12,9,13,15,16,11,4,8,21,22,14,7/E:(2,3)(7,8)(10,11)(12,13)/rA:22nCCCCCCOCCCCCCNCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s11;s14;s15;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16FNO |
All Atoms: | 38 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.34154 |
Area: | 496.24 |
Solvation: | -3.06447 |
Coulombic: | -26.2906 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 293.335 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.02 |
LogP (Chemaxon): | 4.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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