Chemical ID: 4678277

c1cc(cnc1)C=C2Cc3ccc(cc3C2=O)Cl
Chemical ID:
4678277
Name [?]:
6-chloro-2-(3-pyridylmethylene)indan-1-one
SMILES [?]:
c1cc(cnc1)C=C2Cc3ccc(cc3C2=O)Cl
InChi [?]:
InChI=1/C15H10ClNO/c16-13-4-3-11-7-12(15(18)14(11)8-13)6-10-2-1-5-17-9-10/h1-6,8-9H,7H2
InChi Info:
AuxInfo=1/0/N:1,2,11,12,6,7,9,14,4,3,10,8,13,15,16,18,5,17/rA:18nCCCCNCCCCCCCCCCCOCl/rB:s1;d2;s3;d4;d1s5;s3;w7;s8;s9;s10;d11;s12;d13;d10s14;s8s15;d16;s13;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10ClNO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.42542
Area:437.335
Solvation:-2.50796
Coulombic:-14.4721
Bond Count [?]
All:20
Single:12
Double:8
Rotors:1
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:255.699
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.87
LogP (Chemaxon):3.06

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Descriptor Annotations

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