Chemical ID: 6740941

C[NH+]1CCc2c(c3cc(ccc3[nH]2)Cl)C1
Chemical ID:
6740941
Name [?]:
None
SMILES [?]:
C[NH+]1CCc2c(c3cc(ccc3[nH]2)Cl)C1
InChi [?]:
InChI=1/C12H13ClN2/c1-15-5-4-12-10(7-15)9-6-8(13)2-3-11(9)14-12/h2-3,6,14H,4-5,7H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,10,11,4,3,8,15,9,7,6,12,5,14,13,2/rA:15cCN+CCCCCCCCCCNClC/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d10;d7s11;s5s12;s9;s2s6;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14ClN2+
All Atoms:29
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:-22.6054
Area:381.224
Solvation:-32.136
Coulombic:19.565
Bond Count [?]
All:17
Single:13
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:221.706
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.32
LogP (Chemaxon):2.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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