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Chemical ID: 6849375
Chemical ID:
6849375
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)Cc3nc(=O)c4ccccc4n3C2
InChi [?]:
InChI=1/C16H12N2O/c19-16-13-7-3-4-8-14(13)18-10-12-6-2-1-5-11(12)9-15(18)17-16/h1-8H,9-10H2
InChi Info:
AuxInfo=1/0/N:1,2,14,15,6,3,13,16,7,19,5,4,12,17,8,10,9,18,11/rA:19nCCCCCCCCNCOCCCCCCNC/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s10;s12;d13;s14;d15;d12s16;s8s17;s4s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12N2O |
All Atoms: | 31 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.27145 |
Area: | 406.953 |
Solvation: | -1.90237 |
Coulombic: | -24.2062 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 248.279 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.1 |
LogP (Chemaxon): | 3.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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