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Chemical ID: 5785213
Chemical ID:
5785213
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)C(N(CC3)C(=O)c4ccccc4Cl)c5ccc6c(c5)OCO6
InChi [?]:
InChI=1/C25H19ClN2O3/c26-19-7-3-1-6-18(19)25(29)28-12-11-17-16-5-2-4-8-20(16)27-23(17)24(28)15-9-10-21-22(13-15)31-14-30-21/h1-10,13,24,27H,11-12,14H2
InChi Info:
AuxInfo=1/0/N:18,1,19,2,6,17,20,3,24,25,13,12,28,30,23,5,7,16,21,4,26,27,8,10,14,22,9,11,15,31,29/rA:31cCCCCCCCCNCNCCCOCCCCCCClCCCCCCOCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s7s12;s11;d14;s14;s16;d17;s18;d19;d16s20;s21;s10;s23;d24;s25;d26;d23s27;s27;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H19ClN2O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.3399 |
Area: | 586.113 |
Solvation: | -4.31296 |
Coulombic: | -46.9782 |
Bond Count [?]
All: | 36 |
Single: | 25 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 430.883 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.16 |
LogP (Chemaxon): | 5.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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