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Chemical ID: 5184700
Chemical ID:
5184700
Name [?]:
(4-chloro-2-methyl-phenyl) (2-chlorophenyl)aminoformate
SMILES [?]:
Cc1cc(ccc1OC(=O)Nc2ccccc2Cl)Cl
InChi [?]:
InChI=1/C14H11Cl2NO2/c1-9-8-10(15)6-7-13(9)19-14(18)17-12-5-3-2-4-11(12)16/h2-8H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,13,5,6,3,2,4,17,12,7,9,19,18,11,10,8/rA:19nCCCCCCCOCONCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11Cl2NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7839 |
Area: | 475.82 |
Solvation: | -1.11157 |
Coulombic: | -36.4271 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 296.148 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.48 |
LogP (Chemaxon): | 5.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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