Chemical ID: 4562666

CN1CCc2c(c3cc(ccc3[nH]2)Cl)C1
Chemical ID:
4562666
Name [?]:
None
SMILES [?]:
CN1CCc2c(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
InChi Info:
AuxInfo=1/0/N:1,10,11,4,3,8,15,9,7,6,12,5,14,13,2/rA:15cCNCCCCCCCCCCNClC/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d10;d7s11;s5s12;s9;s2s6;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13ClN2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:8.05476
Area:379.392
Solvation:-1.43003
Coulombic:-16.3444
Bond Count [?]
All:17
Single:13
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:220.698
H-Bond Donors:0
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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