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Chemical ID: 4805878
Chemical ID:
4805878
Name [?]:
N-[[1-(3-chlorophenyl)-2,5-dioxo-pyrrolidin-3-yl]aminocarbamoylmethyl]acetamide
SMILES [?]:
CC(=O)NCC(=O)NNC1CC(=O)N(C1=O)c2cccc(c2)Cl
InChi [?]:
InChI=1/C14H15ClN4O4/c1-8(20)16-7-12(21)18-17-11-6-13(22)19(14(11)23)10-4-2-3-9(15)5-10/h2-5,11,17H,6-7H2,1H3,(H,16,20)(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,19,20,18,22,11,5,2,21,17,10,6,12,15,23,4,9,8,14,3,7,13,16/rA:23cCCONCCONNCCCONCOCCCCCCCl/rB:s1;d2;s2;s4;s5;d6;s6;s8;s9;s10;s11;d12;s12;s10s14;d15;s14;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15ClN4O4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.23999 |
Area: | 555.929 |
Solvation: | -5.65824 |
Coulombic: | -66.0314 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 338.746 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 8 |
XLogP: | 0.78 |
LogP (Chemaxon): | -0.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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