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Chemical ID: 4701059
Chemical ID:
4701059
Name [?]:
2,4-dichloro-N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]benzamide
SMILES [?]:
CC1(OC(=O)C(=CNC(=O)c2ccc(cc2Cl)Cl)C(=O)O1)C
InChi [?]:
InChI=1/C14H11Cl2NO5/c1-14(2)21-12(19)9(13(20)22-14)6-17-11(18)8-4-3-7(15)5-10(8)16/h3-6H,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,22,13,12,15,7,14,11,6,16,9,4,19,2,18,17,8,10,5,20,3,21/E:(1,2)(12,13)(19,20)(21,22)/rA:22nCCOCOCCNCOCCCCCCClClCOOC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s14;s6;d19;s2s19;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11Cl2NO5 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.46916 |
Area: | 518.556 |
Solvation: | -3.49473 |
Coulombic: | -59.0923 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 344.146 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.48 |
LogP (Chemaxon): | 2.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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