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Chemical ID: 6361469
Chemical ID:
6361469
Name [?]:
N-(2-phenoxyphenyl)cyclohexanecarboxamide
SMILES [?]:
c1ccc(cc1)Oc2ccccc2NC(=O)C3CCCCC3
InChi [?]:
InChI=1/C19H21NO2/c21-19(15-9-3-1-4-10-15)20-17-13-7-8-14-18(17)22-16-11-5-2-6-12-16/h2,5-8,11-15H,1,3-4,9-10H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:20,1,19,21,2,6,11,10,18,22,3,5,12,9,17,4,13,8,15,14,16,7/E:(3,4)(5,6)(9,10)(11,12)/rA:22nCCCCCCOCCCCCCNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s13;s14;d15;s15;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2637 |
Area: | 497.976 |
Solvation: | -2.18575 |
Coulombic: | -31.5362 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 295.376 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.67 |
LogP (Chemaxon): | 4.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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