Chemical ID: 5446942

CN1c2ccccc2C3(C1=O)NC(=O)c4ccccc4O3
Chemical ID:
5446942
Name [?]:
None
SMILES [?]:
CN1c2ccccc2C3(C1=O)NC(=O)c4ccccc4O3
InChi [?]:
InChI=1/C16H12N2O3/c1-18-12-8-4-3-7-11(12)16(15(18)20)17-14(19)10-6-2-5-9-13(10)21-16/h2-9H,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,17,6,5,18,16,7,4,19,15,8,3,20,13,10,9,12,2,14,11,21/rA:21cCNCCCCCCCCONCOCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2s9;d10;s9;s12;d13;s13;s15;d16;s17;d18;d15s19;s9s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12N2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:8.27422
Area:431.577
Solvation:-2.51521
Coulombic:-51.4275
Bond Count [?]
All:24
Single:16
Double:8
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:280.278
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.79
LogP (Chemaxon):2.26

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