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Chemical ID: 4123080
Chemical ID:
4123080
Name [?]:
N-(4-amino-2-methyl-phenyl)acetamide
SMILES [?]:
Cc1cc(ccc1NC(=O)C)N
InChi [?]:
InChI=1/C9H12N2O/c1-6-5-8(10)3-4-9(6)11-7(2)12/h3-5H,10H2,1-2H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,11,5,6,3,2,9,4,7,12,8,10/rA:12nCCCCCCCNCOCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s4;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H12N2O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.25865 |
Area: | 332.799 |
Solvation: | -2.06133 |
Coulombic: | -35.3439 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 164.204 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 0.26 |
LogP (Chemaxon): | 0.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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