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Chemical ID: 4664229
Chemical ID:
4664229
Name [?]:
2-methyl-N-phenyl-propanamide
SMILES [?]:
CC(C)C(=O)Nc1ccccc1
InChi [?]:
InChI=1/C10H13NO/c1-8(2)10(12)11-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,3,10,9,11,8,12,2,7,4,6,5/E:(1,2)(4,5)(6,7)/rA:12nCCCCONCCCCCC/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;d7s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13NO |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.70482 |
Area: | 337.586 |
Solvation: | -1.73483 |
Coulombic: | -21.3191 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 163.216 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.82 |
LogP (Chemaxon): | 2.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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