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Chemical ID: 5236135
Chemical ID:
5236135
Name [?]:
None
SMILES [?]:
CN(C)CCC1c2ccc(cc2CCc3c1nccc3)Cl
InChi [?]:
InChI=1/C18H21ClN2/c1-21(2)11-9-17-16-8-7-15(19)12-14(16)6-5-13-4-3-10-20-18(13)17/h3-4,7-8,10,12,17H,5-6,9,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,19,20,14,13,9,8,5,18,4,11,15,12,10,7,6,16,21,17,2/E:(1,2)/rA:21cCNCCCCCCCCCCCCCCNCCCCl/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s14;s6s15;d16;s17;d18;d15s19;s10;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21ClN2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.1972 |
Area: | 481.252 |
Solvation: | -1.8341 |
Coulombic: | -11.7757 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 300.826 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.35 |
LogP (Chemaxon): | 3.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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