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Chemical ID: 4491222
Chemical ID:
4491222
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)COC3(N2)c4ccccc4NC3=O
InChi [?]:
InChI=1/C15H12N2O2/c18-14-15(11-6-2-4-8-13(11)16-14)17-12-7-3-1-5-10(12)9-19-15/h1-8,17H,9H2,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,13,2,14,6,12,3,15,7,5,11,4,16,18,9,17,10,19,8/rA:19cCCCCCCCOCNCCCCCCNCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;s9;s11;d12;s13;d14;d11s15;s16;s9s17;d18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12N2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.71093 |
Area: | 403.679 |
Solvation: | -2.38105 |
Coulombic: | -46.8713 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 252.268 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.69 |
LogP (Chemaxon): | 3.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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