Chemical ID: 7645136

COc1cc2c(cc1OC)C3CC(CCN3CC2)c4ccc(cc4)Cl
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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