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Chemical ID: 7100117
Chemical ID:
7100117
Name [?]:
3-(2-piperidyl)naphthalen-2-ol
SMILES [?]:
c1ccc2cc(c(cc2c1)C3CCCCN3)O
InChi [?]:
InChI=1/C15H17NO/c17-15-10-12-6-2-1-5-11(12)9-13(15)14-7-3-4-8-16-14/h1-2,5-6,9-10,14,16-17H,3-4,7-8H2
InChi Info:
AuxInfo=1/0/N:1,2,13,14,10,3,12,15,8,5,9,4,7,11,6,16,17/rA:17cCCCCCCCCCCCCCCCNO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s7;s11;s12;s13;s14;s11s15;s6;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17NO |
All Atoms: | 34 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.28189 |
Area: | 400.342 |
Solvation: | -1.72666 |
Coulombic: | -27.1574 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 227.302 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 3.36 |
LogP (Chemaxon): | 2.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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