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Chemical ID: 7288020
Chemical ID:
7288020
Name [?]:
methyl 4-chloro-2-[4-(hydroxymethyl)benzoyl]amino-benzoate
SMILES [?]:
COC(=O)c1ccc(cc1NC(=O)c2ccc(cc2)CO)Cl
InChi [?]:
InChI=1/C16H14ClNO4/c1-22-16(21)13-7-6-12(17)8-14(13)18-15(20)11-4-2-10(9-19)3-5-11/h2-8,19H,9H2,1H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,16,18,15,19,7,6,9,20,17,14,8,5,10,12,3,22,11,21,13,4,2/E:(2,3)(4,5)/rA:22nCOCOCCCCCCNCOCCCCCCCOCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;s20;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14ClNO4 |
All Atoms: | 36 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.30678 |
Area: | 519.078 |
Solvation: | -3.67016 |
Coulombic: | -59.0763 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 319.739 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.17 |
LogP (Chemaxon): | 3.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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