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Chemical ID: 5827890
Chemical ID:
5827890
Name [?]:
N-(2-cyclopropylphenyl)acetamide
SMILES [?]:
CC(=O)Nc1ccccc1C2CC2
InChi [?]:
InChI=1/C11H13NO/c1-8(13)12-11-5-3-2-4-10(11)9-6-7-9/h2-5,9H,6-7H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,8,7,9,6,12,13,2,11,10,5,4,3/E:(6,7)/rA:13nCCONCCCCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s11s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13NO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.95904 |
Area: | 351.615 |
Solvation: | -1.83133 |
Coulombic: | -20.2872 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 175.227 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.13 |
LogP (Chemaxon): | 1.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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