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Chemical ID: 6511555
Chemical ID:
6511555
Name [?]:
3-[(3-chlorophenyl)carbamoyl-methyl-amino]propanoic acid
SMILES [?]:
CN(CCC(=O)O)C(=O)Nc1cccc(c1)Cl
InChi [?]:
InChI=1/C11H13ClN2O3/c1-14(6-5-10(15)16)11(17)13-9-4-2-3-8(12)7-9/h2-4,7H,5-6H2,1H3,(H,13,17)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,13,14,12,4,3,16,15,11,5,8,17,10,2,6,7,9/E:(15,16)/rA:17nCNCCCOOCONCCCCCCCl/rB:s1;s2;s3;s4;d5;s5;s2;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13ClN2O3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.48142 |
Area: | 450.701 |
Solvation: | -2.78611 |
Coulombic: | -56.0823 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 256.685 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.22 |
LogP (Chemaxon): | 1.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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