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Chemical ID: 7645136
Chemical ID:
7645136
Name [?]:
None
SMILES [?]:
COc1cc2c(cc1OC)C3CC(CCN3CC2)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C21H24ClNO2/c1-24-20-12-16-8-10-23-9-7-15(14-3-5-17(22)6-4-14)11-19(23)18(16)13-21(20)25-2/h3-6,12-13,15,19H,7-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,20,24,21,23,14,18,15,17,12,4,7,19,13,5,22,6,11,3,8,25,16,2,9/E:(3,4)(5,6)/rA:25cCOCCCCCCOCCCCCCNCCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;s14;s11s15;s16;s5s17;s13;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H24ClNO2 |
All Atoms: | 49 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.86295 |
Area: | 551.537 |
Solvation: | -4.92548 |
Coulombic: | -21.004 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.15 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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