Chemical ID: 5175652

CNC(=O)CN1c2cccc3c2c(ccc3)C1=O
Chemical ID:
5175652
Name [?]:
None
SMILES [?]:
CNC(=O)CN1c2cccc3c2c(ccc3)C1=O
InChi [?]:
InChI=1/C14H12N2O2/c1-15-12(17)8-16-11-7-3-5-9-4-2-6-10(13(9)11)14(16)18/h2-7H,8H2,1H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,15,9,16,10,14,8,5,11,13,7,3,12,17,2,6,4,18/rA:18nCNCOCNCCCCCCCCCCCO/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;d10;d7s11;s12;d13;s14;s11d15;s6s13;d17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12N2O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.08617
Area:407.526
Solvation:-3.10196
Coulombic:-38.099
Bond Count [?]
All:20
Single:13
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:240.257
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.55
LogP (Chemaxon):0.75

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