Chemical ID: 7294064

COC(=O)CCNC(=O)c1ccccc1Cl
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

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Descriptor Annotations

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