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Chemical ID: 7294064
Chemical ID:
7294064
Name [?]:
methyl 3-(2-chlorobenzoyl)aminopropanoate
SMILES [?]:
COC(=O)CCNC(=O)c1ccccc1Cl
InChi [?]:
InChI=1/C11H12ClNO3/c1-16-10(14)6-7-13-11(15)8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,12,13,11,14,5,6,10,15,3,8,16,7,4,9,2/rA:16nCOCOCCNCOCCCCCCCl/rB:s1;s2;d3;s3;s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12ClNO3 |
All Atoms: | 28 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.49417 |
Area: | 430.761 |
Solvation: | -3.27487 |
Coulombic: | -39.7554 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 241.671 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.91 |
LogP (Chemaxon): | 1.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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