Chemical ID: 4908040

CC12CC(C(=O)c3c1cccc3)OC2=O
Chemical ID:
4908040
Name [?]:
None
SMILES [?]:
CC12CC(C(=O)c3c1cccc3)OC2=O
InChi [?]:
InChI=1/C12H10O3/c1-12-6-9(15-11(12)14)10(13)7-4-2-3-5-8(7)12/h2-5,9H,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,12,9,3,7,8,4,5,14,2,6,15,13/rA:15cCCCCCOCCCCCCOCO/rB:s1;s2;s3;s4;d5;s5;s2s7;d8;s9;d10;d7s11;s4;s2s13;d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10O3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:2
ZAP Information [?]
Total:5.39381
Area:342.807
Solvation:-3.17638
Coulombic:-26.9534
Bond Count [?]
All:17
Single:12
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:202.206
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.82
LogP (Chemaxon):1.66

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Descriptor Annotations

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