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Chemical ID: 6606834
Chemical ID:
6606834
Name [?]:
2-chloro-N-[(4-methoxyphenyl)methyl]propanamide
SMILES [?]:
CC(C(=O)NCc1ccc(cc1)OC)Cl
InChi [?]:
InChI=1/C11H14ClNO2/c1-8(12)11(14)13-7-9-3-5-10(15-2)6-4-9/h3-6,8H,7H2,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,14,8,12,9,11,6,2,7,10,3,15,5,4,13/E:(3,4)(5,6)/rA:15cCCCONCCCCCCCOCCl/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s2;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14ClNO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.28782 |
Area: | 423.329 |
Solvation: | -3.29539 |
Coulombic: | -29.2894 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 227.687 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.87 |
LogP (Chemaxon): | 1.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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