Chemical ID: 6670517

c1ccc2c(c1)c(=O)n3c(n2)C(CCCC3)Cl
Chemical ID:
6670517
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c(=O)n3c(n2)C(CCCC3)Cl
InChi [?]:
InChI=1/C13H13ClN2O/c14-10-6-3-4-8-16-12(10)15-11-7-2-1-5-9(11)13(16)17/h1-2,5,7,10H,3-4,6,8H2
InChi Info:
AuxInfo=1/0/N:1,2,14,15,6,13,3,16,5,12,4,10,7,17,11,9,8/rA:17cCCCCCCCONCNCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s4d10;s10;s12;s13;s14;s9s15;s12;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13ClN2O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:8.18221
Area:396.706
Solvation:-1.73543
Coulombic:-24.0797
Bond Count [?]
All:19
Single:14
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:248.708
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.05
LogP (Chemaxon):2.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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