Chemical ID: 6198587

c1ccc2c(c1)C(=O)c3c(cc4c(c3C2=O)NCCN4)O
Chemical ID:
6198587
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C(=O)c3c(cc4c(c3C2=O)NCCN4)O
InChi [?]:
InChI=1/C16H12N2O3/c19-11-7-10-14(18-6-5-17-10)13-12(11)15(20)8-3-1-2-4-9(8)16(13)21/h1-4,7,17-19H,5-6H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,19,18,11,5,4,12,10,9,14,13,7,15,20,17,21,8,16/rA:21nCCCCCCCOCCCCCCCONCCNO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;d10;s11;d12;d9s13;s4s14;d15;s13;s17;s18;s12s19;s10;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12N2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:6.404
Area:423.883
Solvation:-4.19306
Coulombic:-53.5041
Bond Count [?]
All:24
Single:16
Double:8
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:280.278
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:1.78
LogP (Chemaxon):2.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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