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Chemical ID: 6401433
Chemical ID:
6401433
Name [?]:
N-(2,3-dimethylphenyl)butanamide
SMILES [?]:
CCCC(=O)Nc1cccc(c1C)C
InChi [?]:
InChI=1/C12H17NO/c1-4-6-12(14)13-11-8-5-7-9(2)10(11)3/h5,7-8H,4,6H2,1-3H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,14,13,2,9,3,10,8,11,12,7,4,6,5/rA:14nCCCCONCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17NO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.81082 |
Area: | 382.591 |
Solvation: | -1.75396 |
Coulombic: | -20.7689 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 191.27 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.76 |
LogP (Chemaxon): | 2.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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