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Chemical ID: 6671121
Chemical ID:
6671121
Name [?]:
(4-methoxyphenyl) (2,5-dimethylphenyl)aminoformate
SMILES [?]:
Cc1ccc(c(c1)NC(=O)Oc2ccc(cc2)OC)C
InChi [?]:
InChI=1/C16H17NO3/c1-11-4-5-12(2)15(10-11)17-16(18)20-14-8-6-13(19-3)7-9-14/h4-10H,1-3H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,20,19,3,4,14,16,13,17,7,2,5,15,12,6,9,8,10,18,11/E:(6,7)(8,9)/rA:20nCCCCCCCNCOOCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;s18;s5;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17NO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.02863 |
Area: | 473.5 |
Solvation: | -2.80887 |
Coulombic: | -41.3041 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 271.311 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.59 |
LogP (Chemaxon): | 4.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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