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Chemical ID: 6666337
Chemical ID:
6666337
Name [?]:
(4-chlorophenyl) m-tolylaminoformate
SMILES [?]:
Cc1cccc(c1)NC(=O)Oc2ccc(cc2)Cl
InChi [?]:
InChI=1/C14H12ClNO2/c1-10-3-2-4-12(9-10)16-14(17)18-13-7-5-11(15)6-8-13/h2-9H,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,14,16,13,17,7,2,15,6,12,9,18,8,10,11/E:(5,6)(7,8)/rA:18nCCCCCCCNCOOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12ClNO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.8383 |
Area: | 454.764 |
Solvation: | -1.53079 |
Coulombic: | -35.2818 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 261.703 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.07 |
LogP (Chemaxon): | 4.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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