Chemical ID: 3998161

c1ccc(c(c1)C(=O)N2CCOCC2)C(=O)O
Chemical ID:
3998161
Name [?]:
2-morpholinocarbonylbenzoic acid
SMILES [?]:
c1ccc(c(c1)C(=O)N2CCOCC2)C(=O)O
InChi [?]:
InChI=1/C12H13NO4/c14-11(13-5-7-17-8-6-13)9-3-1-2-4-10(9)12(15)16/h1-4H,5-8H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,10,14,11,13,5,4,7,15,9,8,16,17,12/E:(5,6)(7,8)(15,16)/rA:17nCCCCCCCONCCOCCCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s9s13;s4;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13NO4
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:5.53585
Area:390.507
Solvation:-4.22683
Coulombic:-51.8774
Bond Count [?]
All:18
Single:13
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:235.236
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.78
LogP (Chemaxon):0.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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