Chemical ID: 4157632

CCC(C)OC(=O)C(C)Oc1ccc2c(cc(=O)oc2c1)C
Chemical ID:
4157632
Name [?]:
sec-butyl 2-(4-methyl-2-oxo-chromen-7-yl)oxypropanoate
SMILES [?]:
CCC(C)OC(=O)C(C)Oc1ccc2c(cc(=O)oc2c1)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H20O5
All Atoms:22
Heavy Atoms:22
Chiral Atoms:2
ZAP Information [?]
Total:8.84096
Area:519.012
Solvation:-4.13435
Coulombic:-46.2765
Bond Count [?]
All:23
Single:17
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:304.338
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.51
LogP (Chemaxon):3.66

Name Annotations

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

ChemicalMix SourceExternal IDDescriptorValue
CCC(C)OC(=O)C(C)Oc1ccc2c(cc(=O)oc2c1)C AURORA 16800 Molname 16800

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
CCC(C)OC(=O)C(C)Oc1ccc2c(cc(=O)oc2c1)C AMBINTER 76188 Formula C17H20O5
IDNUMBER 7013070130
MOL_ID 76188
MolWeight 304.342
WORLD 7013070130 IDNUMBER 7013070130
AMBINTER 7013070130 IDNUMBER 7013070130
7013070130 >___(7013070130) 0 >___(7013070130) 2 CLogP 3.500000000000000e+000
IDNUMBER 7013070130 > (7013070130) 0 > (7013070130) 2
Number of N and O atoms 5
Number of NO2 groups 0
Rotable bonds number 10
molweight 2.841819460000000e+002
OTAVA 7013070130 CLogP 3.500000000000000e+000
Code 7013070130
Number of N and O atoms 5
Number of NO2 groups 0
Number of h-acceptors 0
Number of h-donors 2
Rotable bonds number 10
D7013070130 Code D7013070130
code D7013070130