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Chemical ID: 6480755
Chemical ID:
6480755
Name [?]:
1-(4-fluorophenyl)-3-methylamino-propan-1-ol
SMILES [?]:
CNCCC(c1ccc(cc1)F)O
InChi [?]:
InChI=1/C10H14FNO/c1-12-7-6-10(13)8-2-4-9(11)5-3-8/h2-5,10,12-13H,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,11,8,10,4,3,6,9,5,12,2,13/E:(2,3)(4,5)/rA:13cCNCCCCCCCCCFO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s5;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14FNO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.0819 |
Area: | 361.927 |
Solvation: | -2.96628 |
Coulombic: | -30.3121 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 183.223 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 1.45 |
LogP (Chemaxon): | 1.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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