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Chemical ID: 6361404
Chemical ID:
6361404
Name [?]:
2-methyl-N-(2-phenoxyphenyl)-propanamide
SMILES [?]:
CC(C)C(=O)Nc1ccccc1Oc2ccccc2
InChi [?]:
InChI=1/C16H17NO2/c1-12(2)16(18)17-14-10-6-7-11-15(14)19-13-8-4-3-5-9-13/h3-12H,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,17,16,18,9,10,15,19,8,11,2,14,7,12,4,6,5,13/E:(1,2)(4,5)(8,9)/rA:19nCCCCONCCCCCCOCCCCCC/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.02893 |
Area: | 449.651 |
Solvation: | -2.21235 |
Coulombic: | -30.8727 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 255.312 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.3 |
LogP (Chemaxon): | 3.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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