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Chemical ID: 4910307
Chemical ID:
4910307
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C(N3c4ccccc4C(=O)C3=N2)O
InChi [?]:
InChI=1/C15H10N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8,15,19H
InChi Info:
AuxInfo=1/0/N:1,12,2,11,6,13,3,10,5,14,4,9,15,17,7,18,8,16,19/rA:19cCCCCCCCNCCCCCCCOCNO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s14;d15;s8s15;s4d17;s7;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10N2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.05969 |
Area: | 409.884 |
Solvation: | -3.18741 |
Coulombic: | -40.3345 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 250.252 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.41 |
LogP (Chemaxon): | 3.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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