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Chemical ID: 4446834
Chemical ID:
4446834
Name [?]:
3-[2-(phenylcarbamoylmethoxy)phenyl]prop-2-enoic acid
SMILES [?]:
c1ccc(cc1)NC(=O)COc2ccccc2C=CC(=O)O
InChi [?]:
InChI=1/C17H15NO4/c19-16(18-14-7-2-1-3-8-14)12-22-15-9-5-4-6-13(15)10-11-17(20)21/h1-11H,12H2,(H,18,19)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,15,14,16,3,5,13,18,19,10,17,4,12,8,20,7,9,21,22,11/E:(2,3)(7,8)(20,21)/rA:22nCCCCCCNCOCOCCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;w18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15NO4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.48647 |
Area: | 499.209 |
Solvation: | -4.99375 |
Coulombic: | -55.9767 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 297.305 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.56 |
LogP (Chemaxon): | 2.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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