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Chemical ID: 3968465
Chemical ID:
3968465
Name [?]:
7-dipropylamino-4-fluoro-tetralin-1-ol
SMILES [?]:
CCCN(CCC)C1CCc2c(ccc(c2C1)O)F
InChi [?]:
InChI=1/C16H24FNO/c1-3-9-18(10-4-2)12-5-6-13-14(11-12)16(19)8-7-15(13)17/h7-8,12,19H,3-6,9-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,2,6,9,10,13,14,3,5,17,8,11,16,12,15,19,4,18/E:(1,2)(3,4)(9,10)/rA:19cCCCNCCCCCCCCCCCCCOF/rB:s1;s2;s3;s4;s5;s6;s4;s8;s9;s10;s11;d12;s13;d14;d11s15;s8s16;s15;s12;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H24FNO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.04864 |
Area: | 463.509 |
Solvation: | -2.53907 |
Coulombic: | -26.0742 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 265.366 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.49 |
LogP (Chemaxon): | 3.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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