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Chemical ID: 7458476
Chemical ID:
7458476
Name [?]:
4-(cyclohexylcarbamoylformyl)amino-2-hydroxy-benzoic acid
SMILES [?]:
c1cc(c(cc1NC(=O)C(=O)NC2CCCCC2)O)C(=O)O
InChi [?]:
InChI=1/C15H18N2O5/c18-12-8-10(6-7-11(12)15(21)22)17-14(20)13(19)16-9-4-2-1-3-5-9/h6-9,18H,1-5H2,(H,16,19)(H,17,20)(H,21,22)
InChi Info:
AuxInfo=1/1/N:16,15,17,14,18,1,2,5,13,6,3,4,10,8,20,12,7,19,11,9,21,22/E:(2,3)(4,5)(21,22)/rA:22nCCCCCCNCOCONCCCCCCOCOO/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;d10;s10;s12;s13;s14;s15;s16;s13s17;s4;s3;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N2O5 |
All Atoms: | 40 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.08205 |
Area: | 506.463 |
Solvation: | -3.57951 |
Coulombic: | -89.1091 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 306.314 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 7 |
XLogP: | 2.69 |
LogP (Chemaxon): | 2.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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