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Chemical ID: 4288881
Chemical ID:
4288881
Name [?]:
4-[3-[(4-fluorophenyl)methylamino]butyl]phenol
SMILES [?]:
CC(CCc1ccc(cc1)O)NCc2ccc(cc2)F
InChi [?]:
InChI=1/C17H20FNO/c1-13(2-3-14-6-10-17(20)11-7-14)19-12-15-4-8-16(18)9-5-15/h4-11,13,19-20H,2-3,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,4,15,19,6,10,16,18,7,9,13,2,5,14,17,8,20,12,11/E:(4,5)(6,7)(8,9)(10,11)/rA:20cCCCCCCCCCCONCCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s2;s12;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20FNO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.36463 |
Area: | 496.648 |
Solvation: | -3.05156 |
Coulombic: | -31.0353 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 273.345 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 3.97 |
LogP (Chemaxon): | 3.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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