Chemical ID: 6318672

CC1C=CCC2C1C(=O)N(C2=O)c3cccc(c3)O
Chemical ID:
6318672
Name [?]:
2-(3-hydroxyphenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
SMILES [?]:
CC1C=CCC2C1C(=O)N(C2=O)c3cccc(c3)O
InChi [?]:
InChI=1/C15H15NO3/c1-9-4-2-7-12-13(9)15(19)16(14(12)18)10-5-3-6-11(17)8-10/h2-6,8-9,12-13,17H,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,15,3,14,16,5,18,2,13,17,6,7,11,8,10,19,12,9/rA:19cCCCCCCCCONCOCCCCCCO/rB:s1;s2;d3;s4;s5;s2s6;s7;d8;s8;s6s10;d11;s10;s13;d14;s15;d16;d13s17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15NO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:3
ZAP Information [?]
Total:7.49394
Area:415.296
Solvation:-2.88847
Coulombic:-41.2493
Bond Count [?]
All:21
Single:15
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:257.285
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.7
LogP (Chemaxon):2.05

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Descriptor Annotations

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