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Chemical ID: 4119267
Chemical ID:
4119267
Name [?]:
6-(4-isopropoxybenzoyl)aminohexanoic acid
SMILES [?]:
CC(C)Oc1ccc(cc1)C(=O)NCCCCCC(=O)O
InChi [?]:
InChI=1/C16H23NO4/c1-12(2)21-14-9-7-13(8-10-14)16(20)17-11-5-3-4-6-15(18)19/h7-10,12H,3-6,11H2,1-2H3,(H,17,20)(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,16,17,15,18,7,9,6,10,14,2,8,5,19,11,13,20,21,12,4/E:(1,2)(7,8)(9,10)(18,19)/rA:21nCCCOCCCCCCCONCCCCCCOO/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;s15;s16;s17;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H23NO4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.70132 |
Area: | 546.157 |
Solvation: | -3.9526 |
Coulombic: | -55.7829 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 293.358 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.84 |
LogP (Chemaxon): | 2.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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