Chemical ID: 5003174

CCCOc1ccc(cc1)C(=O)NCCCCCC(=O)[O-]
Chemical ID:
5003174
Name [?]:
6-(4-propoxybenzoyl)aminohexanoate
SMILES [?]:
CCCOc1ccc(cc1)C(=O)NCCCCCC(=O)[O-]
InChi [?]:
InChI=1/C16H23NO4/c1-2-12-21-14-9-7-13(8-10-14)16(20)17-11-5-3-4-6-15(18)19/h7-10H,2-6,11-12H2,1H3,(H,17,20)(H,18,19)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,16,17,15,18,7,9,6,10,14,3,8,5,19,11,13,20,21,12,4/E:(7,8)(9,10)(18,19)/rA:21nCCCOCCCCCCCONCCCCCCOO-/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;s15;s16;s17;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H22NO4-
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:-32.0107
Area:552.662
Solvation:-45.8272
Coulombic:-28.2113
Bond Count [?]
All:21
Single:16
Double:5
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:292.35
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.26
LogP (Chemaxon):2.27

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue