Chemical ID: 5236135

CN(C)CCC1c2ccc(cc2CCc3c1nccc3)Cl
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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