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Chemical ID: 6322319
Chemical ID:
6322319
Name [?]:
N-sec-butylbenzamide
SMILES [?]:
CCC(C)NC(=O)c1ccccc1
InChi [?]:
InChI=1/C11H15NO/c1-3-9(2)12-11(13)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,4,2,11,10,12,9,13,3,8,6,5,7/E:(5,6)(7,8)/rA:13cCCCCNCOCCCCCC/rB:s1;s2;s3;s3;s5;d6;s6;s8;d9;s10;d11;d8s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15NO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.81537 |
Area: | 366.847 |
Solvation: | -1.3558 |
Coulombic: | -23.9962 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 177.243 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.67 |
LogP (Chemaxon): | 2.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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