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Chemical ID: 4755807
Chemical ID:
4755807
Name [?]:
N-(2-hydroxybenzoyl)-3-methoxy-benzamide
SMILES [?]:
COc1cccc(c1)C(=O)NC(=O)c2ccccc2O
InChi [?]:
InChI=1/C15H13NO4/c1-20-11-6-4-5-10(9-11)14(18)16-15(19)12-7-2-3-8-13(12)17/h2-9,17H,1H3,(H,16,18,19)
InChi Info:
AuxInfo=1/1/N:1,16,17,5,6,4,15,18,8,7,3,14,19,9,12,11,20,10,13,2/rA:20nCOCCCCCCCONCOCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13NO4 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.10905 |
Area: | 460.621 |
Solvation: | -6.40646 |
Coulombic: | -51.9169 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 271.268 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.53 |
LogP (Chemaxon): | 2.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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