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Chemical ID: 6560601
Chemical ID:
6560601
Name [?]:
(4-carbamoylphenyl)carbamoylmethyl 4-hydroxybenzoate
SMILES [?]:
c1cc(ccc1C(=O)N)NC(=O)COC(=O)c2ccc(cc2)O
InChi [?]:
InChI=1/C16H14N2O5/c17-15(21)10-1-5-12(6-2-10)18-14(20)9-23-16(22)11-3-7-13(19)8-4-11/h1-8,19H,9H2,(H2,17,21)(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,5,18,22,2,4,19,21,13,6,17,3,20,11,7,15,9,10,23,12,8,16,14/E:(1,2)(3,4)(5,6)(7,8)/rA:23nCCCCCCCONNCOCOCOCCCCCCO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;s10;d11;s11;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14N2O5 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.27013 |
Area: | 533.414 |
Solvation: | -5.06521 |
Coulombic: | -81.9597 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 314.293 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 7 |
XLogP: | 1.18 |
LogP (Chemaxon): | 1.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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