Chemical ID: 7458476

c1cc(c(cc1NC(=O)C(=O)NC2CCCCC2)O)C(=O)O
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

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Descriptor Annotations

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