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Chemical ID: 3965103
Chemical ID:
3965103
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3cc4c(c5ccccc5[nH]4)c(c3[nH]2)C=O
InChi [?]:
InChI=1/C19H12N2O/c22-10-14-18-12-6-2-4-8-16(12)20-17(18)9-13-11-5-1-3-7-15(11)21-19(13)14/h1-10,20-21H
InChi Info:
AuxInfo=1/0/N:1,13,2,14,6,12,3,15,8,21,5,11,7,18,4,16,9,10,19,17,20,22/rA:22nCCCCCCCCCCCCCCCCNCCNCO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;s10;s11;d12;s13;d14;d11s15;s9s16;d10;d7s18;s4s19;s18;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H12N2O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.59789 |
Area: | 454.505 |
Solvation: | -2.76474 |
Coulombic: | -30.4549 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 284.311 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.74 |
LogP (Chemaxon): | 5.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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