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Chemical ID: 4416861
Chemical ID:
4416861
Name [?]:
4-chloro-2-(4-propanoylaminobenzoyl)amino-benzoic acid
SMILES [?]:
CCC(=O)Nc1ccc(cc1)C(=O)Nc2cc(ccc2C(=O)O)Cl
InChi [?]:
InChI=1/C17H15ClN2O4/c1-2-15(21)19-12-6-3-10(4-7-12)16(22)20-14-9-11(18)5-8-13(14)17(23)24/h3-9H,2H2,1H3,(H,19,21)(H,20,22)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,8,10,18,7,11,19,16,9,17,6,20,15,3,12,21,24,5,14,4,13,22,23/E:(3,4)(6,7)(23,24)/rA:24nCCCONCCCCCCCONCCCCCCCOOCl/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;d21;s21;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15ClN2O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3066 |
Area: | 548.661 |
Solvation: | -3.40991 |
Coulombic: | -69.2998 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 346.765 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 3.38 |
LogP (Chemaxon): | 3.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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