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Chemical ID: 7105885
Chemical ID:
7105885
Name [?]:
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine
SMILES [?]:
c1ccc(c(c1)CNC2CC2)OCc3ccccc3F
InChi [?]:
InChI=1/C17H18FNO/c18-16-7-3-1-6-14(16)12-20-17-8-4-2-5-13(17)11-19-15-9-10-15/h1-8,15,19H,9-12H2
InChi Info:
AuxInfo=1/0/N:16,1,17,2,6,15,18,3,10,11,7,13,5,14,9,19,4,20,8,12/E:(9,10)/rA:20nCCCCCCCNCCCOCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s9s10;s4;s12;s13;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18FNO |
All Atoms: | 38 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.23284 |
Area: | 473.609 |
Solvation: | -2.60739 |
Coulombic: | -23.2346 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 271.329 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.86 |
LogP (Chemaxon): | 3.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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