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Chemical ID: 6875950
Chemical ID:
6875950
Name [?]:
(4-methoxyphenyl)carbamoylmethyl 2-methylbenzoate
SMILES [?]:
Cc1ccccc1C(=O)OCC(=O)Nc2ccc(cc2)OC
InChi [?]:
InChI=1/C17H17NO4/c1-12-5-3-4-6-15(12)17(20)22-11-16(19)18-13-7-9-14(21-2)10-8-13/h3-10H,11H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,22,4,5,3,6,16,20,17,19,11,2,15,18,7,12,8,14,13,9,21,10/E:(7,8)(9,10)/rA:22nCCCCCCCCOOCCONCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17NO4 |
All Atoms: | 39 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.49862 |
Area: | 512.108 |
Solvation: | -4.30408 |
Coulombic: | -48.5991 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 299.321 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.05 |
LogP (Chemaxon): | 2.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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