Chemical ID: 5133112

c1ccc-2c(c1)C34CCN5C3CC(C5=O)c6c4n2c(=O)cc6
Chemical ID:
5133112
Name [?]:
None
SMILES [?]:
c1ccc-2c(c1)C34CCN5C3CC(C5=O)c6c4n2c(=O)cc6
InChi [?]:
InChI=1/C18H14N2O2/c21-15-6-5-10-11-9-14-18(7-8-19(14)17(11)22)12-3-1-2-4-13(12)20(15)16(10)18/h1-6,11,14H,7-9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,22,21,8,9,12,16,13,5,4,11,19,17,14,7,10,18,20,15/rA:22cCCCCCCCCCNCCCCOCCNCOCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s7s10;s11;s12;s10s13;d14;s13;s7d16;s4s17;s18;d19;s19;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14N2O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:3
ZAP Information [?]
Total:7.34719
Area:424.048
Solvation:-3.25401
Coulombic:-31.8895
Bond Count [?]
All:27
Single:20
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:290.316
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.61
LogP (Chemaxon):1.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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