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Chemical ID: 3997528
Chemical ID:
3997528
Name [?]:
1-(1-piperidylmethyl)naphthalen-2-ol
SMILES [?]:
c1ccc2c(c1)ccc(c2CN3CCCCC3)O
InChi [?]:
InChI=1/C16H19NO/c18-16-9-8-13-6-2-3-7-14(13)15(16)12-17-10-4-1-5-11-17/h2-3,6-9,18H,1,4-5,10-12H2
InChi Info:
AuxInfo=1/0/N:15,1,2,14,16,6,3,7,8,13,17,11,5,4,10,9,12,18/E:(4,5)(10,11)/rA:18nCCCCCCCCCCCNCCCCCO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;s12;s13;s14;s15;s12s16;s9;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.33608 |
Area: | 410.956 |
Solvation: | -1.93781 |
Coulombic: | -23.2492 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 241.328 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.5 |
LogP (Chemaxon): | 3.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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