Chemical ID: 4147633

Cc1ccc2c(c1)C(=O)C(=O)N2
Chemical ID:
4147633
Name [?]:
5-methylindoline-2,3-dione
SMILES [?]:
Cc1ccc2c(c1)C(=O)C(=O)N2
InChi [?]:
InChI=1/C9H7NO2/c1-5-2-3-7-6(4-5)8(11)9(12)10-7/h2-4H,1H3,(H,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,3,4,7,2,6,5,8,10,12,9,11/rA:12nCCCCCCCCOCON/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H7NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.795
Area:314.107
Solvation:-2.05768
Coulombic:-31.5644
Bond Count [?]
All:13
Single:8
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:161.157
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.02
LogP (Chemaxon):2.23

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Descriptor Annotations

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