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Chemical ID: 4203460
Chemical ID:
4203460
Name [?]:
phenylcarbamoylmethyl 4-hydroxybenzoate
SMILES [?]:
c1ccc(cc1)NC(=O)COC(=O)c2ccc(cc2)O
InChi [?]:
InChI=1/C15H13NO4/c17-13-8-6-11(7-9-13)15(19)20-10-14(18)16-12-4-2-1-3-5-12/h1-9,17H,10H2,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,15,19,16,18,10,14,4,17,8,12,7,20,9,13,11/E:(2,3)(4,5)(6,7)(8,9)/rA:20nCCCCCCNCOCOCOCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13NO4 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.86709 |
Area: | 478.983 |
Solvation: | -4.10747 |
Coulombic: | -57.1811 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 271.268 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.29 |
LogP (Chemaxon): | 2.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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