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Chemical ID: 4561661
Chemical ID:
4561661
Name [?]:
None
SMILES [?]:
Cn1c2cccc3c2c(c(c1=O)Nc4ccccc4)-c5ccccc5C3=O
InChi [?]:
InChI=1/C23H16N2O2/c1-25-18-13-7-12-17-19(18)20(15-10-5-6-11-16(15)22(17)26)21(23(25)27)24-14-8-3-2-4-9-14/h2-13,24H,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,18,22,23,5,15,19,21,24,6,4,14,20,25,7,3,8,9,10,26,11,13,2,27,12/E:(3,4)(8,9)/rA:27nCNCCCCCCCCCONCCCCCCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s2s10;d11;s10;s13;s14;d15;s16;d17;d14s18;s9;s20;d21;s22;d23;d20s24;s7s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H16N2O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0414 |
Area: | 514.122 |
Solvation: | -2.81161 |
Coulombic: | -40.0551 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 352.385 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.74 |
LogP (Chemaxon): | 4.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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