Chemical ID: 7712116

CC1N(C2c3cccc4c3c(ccc4)C2O1)c5ccccc5
Chemical ID:
7712116
Name [?]:
None
SMILES [?]:
CC1N(C2c3cccc4c3c(ccc4)C2O1)c5ccccc5
InChi [?]:
InChI=1/C20H17NO/c1-13-21(15-9-3-2-4-10-15)19-16-11-5-7-14-8-6-12-17(18(14)16)20(19)22-13/h2-13,19-20H,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,21,7,13,8,14,18,22,6,12,2,9,17,5,11,10,4,15,3,16/E:(3,4)(9,10)/rA:22cCCNCCCCCCCCCCCCOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;d11;s12;s9d13;s4s11;s2s15;s3;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17NO
All Atoms:39
Heavy Atoms:22
Chiral Atoms:None
ZAP Information [?]
Total:8.54507
Area:454.34
Solvation:-2.81344
Coulombic:-18.3278
Bond Count [?]
All:26
Single:18
Double:8
Rotors:1
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:5.3
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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