Chemical ID: 4561614

CNc1ccc2c3c1C(=O)c4ccccc4-c3cc(=O)n2C
Chemical ID:
4561614
Name [?]:
None
SMILES [?]:
CNc1ccc2c3c1C(=O)c4ccccc4-c3cc(=O)n2C
InChi [?]:
InChI=1/C18H14N2O2/c1-19-13-7-8-14-16-12(9-15(21)20(14)2)10-5-3-4-6-11(10)18(22)17(13)16/h3-9,19H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,14,13,15,12,4,5,18,16,11,17,3,6,19,7,8,9,2,21,20,10/rA:22nCNCCCCCCCOCCCCCCCCCONC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s7s16;d17;s18;d19;s6s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14N2O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.44948
Area:445.859
Solvation:-2.697
Coulombic:-37.1722
Bond Count [?]
All:25
Single:16
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:290.316
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.42
LogP (Chemaxon):3.27

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Descriptor Annotations

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