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Chemical ID: 4937614
Chemical ID:
4937614
Name [?]:
2-hydroxy-N-[3-(2-hydroxybenzoyl)aminopropyl]benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)NCCCNC(=O)c2ccccc2O)O
InChi [?]:
InChI=1/C17H18N2O4/c20-14-8-3-1-6-12(14)16(22)18-10-5-11-19-17(23)13-7-2-4-9-15(13)21/h1-4,6-9,20-21H,5,10-11H2,(H,18,22)(H,19,23)
InChi Info:
AuxInfo=1/1/N:1,18,2,19,11,6,17,3,20,10,12,5,16,4,21,7,14,9,13,23,22,8,15/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)/gE:(1,2)/rA:23nCCCCCCCONCCCNCOCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2O4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.10414 |
Area: | 545.027 |
Solvation: | -5.52154 |
Coulombic: | -75.1298 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 314.336 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | 3.05 |
LogP (Chemaxon): | 2.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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