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Chemical ID: 5832558
Chemical ID:
5832558
Name [?]:
1-[(5-chloro-2-hydroxy-phenyl)methyl]piperidine-4-carboxamide
SMILES [?]:
c1cc(c(cc1Cl)CN2CCC(CC2)C(=O)N)O
InChi [?]:
InChI=1/C13H17ClN2O2/c14-11-1-2-12(17)10(7-11)8-16-5-3-9(4-6-16)13(15)18/h1-2,7,9,17H,3-6,8H2,(H2,15,18)
InChi Info:
AuxInfo=1/1/N:1,2,11,13,10,14,5,8,12,4,6,3,15,7,17,9,18,16/E:(3,4)(5,6)/rA:18nCCCCCCClCNCCCCCCONO/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;s9;s10;s11;s12;s9s13;s12;d15;s15;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H17ClN2O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.55567 |
Area: | 451.029 |
Solvation: | -3.72004 |
Coulombic: | -45.3988 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 268.739 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 1.18 |
LogP (Chemaxon): | 1.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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