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Chemical ID: 6360579
Chemical ID:
6360579
Name [?]:
3-chloro-N-(1-phenylethyl)propanamide
SMILES [?]:
CC(c1ccccc1)NC(=O)CCCl
InChi [?]:
InChI=1/C11H14ClNO/c1-9(13-11(14)7-8-12)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,8,12,13,2,3,10,14,9,11/E:(3,4)(5,6)/rA:14cCCCCCCCCNCOCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14ClNO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.327 |
Area: | 407.412 |
Solvation: | -1.8583 |
Coulombic: | -22.251 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 211.688 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.54 |
LogP (Chemaxon): | 2.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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