Chemical ID: 4938655

c1ccc2c(c1)C(=O)N3CC(CC3C(=O)N2CCCO)O
Chemical ID:
4938655
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C(=O)N3CC(CC3C(=O)N2CCCO)O
InChi [?]:
InChI=1/C15H18N2O4/c18-7-3-6-16-12-5-2-1-4-11(12)14(20)17-9-10(19)8-13(17)15(16)21/h1-2,4-5,10,13,18-19H,3,6-9H2
InChi Info:
AuxInfo=1/0/N:1,2,18,6,3,17,19,12,10,11,5,4,13,7,14,16,9,20,21,8,15/rA:21cCCCCCCCONCCCCCONCCCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s9s12;s13;d14;s4s14;s16;s17;s18;s19;s11;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18N2O4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:6.87345
Area:462.912
Solvation:-4.69936
Coulombic:-66.9747
Bond Count [?]
All:23
Single:18
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:290.315
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:-0.34
LogP (Chemaxon):-0.7

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