Chemical ID: 6918765

COc1cc2c3c(c1O)-c4ccccc4CC3NCC2
Chemical ID:
6918765
Name [?]:
None
SMILES [?]:
COc1cc2c3c(c1O)-c4ccccc4CC3NCC2
InChi [?]:
InChI=1/C17H17NO2/c1-20-14-9-11-6-7-18-13-8-10-4-2-3-5-12(10)16(15(11)13)17(14)19/h2-5,9,13,18-19H,6-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,11,20,19,16,4,15,5,10,17,3,6,7,8,18,9,2/rA:20cCOCCCCCCOCCCCCCCCNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s7;s10;d11;s12;d13;d10s14;s15;s6s16;s17;s18;s5s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17NO2
All Atoms:37
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:6.82852
Area:419.594
Solvation:-3.66133
Coulombic:-33.2239
Bond Count [?]
All:23
Single:17
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:267.322
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.78
LogP (Chemaxon):2.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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