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Chemical ID: 6656627
Chemical ID:
6656627
Name [?]:
1-[(4-chlorophenyl)methyl]-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one
SMILES [?]:
CC1(Cc2c(cc(n2Cc3ccc(cc3)Cl)c4ccccc4)C(=O)C1)C
InChi [?]:
InChI=1/C23H22ClNO/c1-23(2)13-21-19(22(26)14-23)12-20(17-6-4-3-5-7-17)25(21)15-16-8-10-18(24)11-9-16/h3-12H,13-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,20,19,21,18,22,11,15,12,14,6,3,25,9,10,17,13,5,7,4,23,2,16,8,24/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:26nCCCCCCCNCCCCCCCClCCCCCCCOCC/rB:s1;s2;s3;d4;s5;d6;s4s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s7;s17;d18;s19;d20;d17s21;s5;d23;s2s23;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22ClNO |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4268 |
Area: | 553.614 |
Solvation: | -2.41351 |
Coulombic: | -17.417 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 363.88 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 6.32 |
LogP (Chemaxon): | 5.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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