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Chemical ID: 4394691
Chemical ID:
4394691
Name [?]:
2-cyclohexyl-N-tetralin-1-yl-acetamide
SMILES [?]:
c1cc2c(c(c1)NC(=O)CC3CCCCC3)CCCC2
InChi [?]:
InChI=1/C18H25NO/c20-18(13-14-7-2-1-3-8-14)19-17-12-6-10-15-9-4-5-11-16(15)17/h6,10,12,14H,1-5,7-9,11,13H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:14,13,15,19,18,1,12,16,20,2,17,6,10,11,3,4,5,8,7,9/E:(2,3)(7,8)/rA:20nCCCCCCNCOCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;s4;s17;s18;s3s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H25NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.9203 |
Area: | 465.468 |
Solvation: | -1.7164 |
Coulombic: | -21.907 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 271.397 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.22 |
LogP (Chemaxon): | 4.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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