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Chemical ID: 6367332
Chemical ID:
6367332
Name [?]:
3-chloro-N-(2-ethoxyphenyl)-propanamide
SMILES [?]:
CCOc1ccccc1NC(=O)CCCl
InChi [?]:
InChI=1/C11H14ClNO2/c1-2-15-10-6-4-3-5-9(10)13-11(14)7-8-12/h3-6H,2,7-8H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,7,6,8,5,13,14,9,4,11,15,10,12,3/rA:15nCCOCCCCCCNCOCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14ClNO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.78771 |
Area: | 421.16 |
Solvation: | -2.74129 |
Coulombic: | -28.5111 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 227.687 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.21 |
LogP (Chemaxon): | 2.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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