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Chemical ID: 6427432
Chemical ID:
6427432
Name [?]:
N-[4-(2-methylcyclohexyl)phenyl]acetamide
SMILES [?]:
CC1CCCCC1c2ccc(cc2)NC(=O)C
InChi [?]:
InChI=1/C15H21NO/c1-11-5-3-4-6-15(11)13-7-9-14(10-8-13)16-12(2)17/h7-11,15H,3-6H2,1-2H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,17,4,5,3,6,9,13,10,12,2,15,8,11,7,14,16/E:(7,8)(9,10)/rA:17cCCCCCCCCCCCCCNCOC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.50892 |
Area: | 414.904 |
Solvation: | -1.86367 |
Coulombic: | -21.2293 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 231.333 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.56 |
LogP (Chemaxon): | 3.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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