Chemical ID: 4203460

c1ccc(cc1)NC(=O)COC(=O)c2ccc(cc2)O
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

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Descriptor Annotations

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