Chemical ID: 4664735

CN1C(=O)c2cccc3c2c(ccc3)C1=O
Chemical ID:
4664735
Name [?]:
None
SMILES [?]:
CN1C(=O)c2cccc3c2c(ccc3)C1=O
InChi [?]:
InChI=1/C13H9NO2/c1-14-12(15)9-6-2-4-8-5-3-7-10(11(8)9)13(14)16/h2-7H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,13,8,14,6,12,9,5,11,10,3,15,2,4,16/E:(2,3)(4,5)(6,7)(9,10)(12,13)(15,16)/rA:16nCNCOCCCCCCCCCCCO/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;d11;s12;s9d13;s2s11;d15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9NO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.07708
Area:352.781
Solvation:-1.74246
Coulombic:-28.2799
Bond Count [?]
All:18
Single:11
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:211.216
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.4
LogP (Chemaxon):1.63

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Descriptor Annotations

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