Chemical ID: 5635585

CNc1ccc(cc1C(=O)c2ccccc2)Cl
Chemical ID:
5635585
Name [?]:
(5-chloro-2-methylamino-phenyl)-phenyl-methanone
SMILES [?]:
CNc1ccc(cc1C(=O)c2ccccc2)Cl
InChi [?]:
InChI=1/C14H12ClNO/c1-16-13-8-7-11(15)9-12(13)14(17)10-5-3-2-4-6-10/h2-9,16H,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,12,16,5,4,7,11,6,8,3,9,17,2,10/E:(3,4)(5,6)/rA:17nCNCCCCCCCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s6;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12ClNO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.86775
Area:427.787
Solvation:-1.82693
Coulombic:-23.1459
Bond Count [?]
All:18
Single:11
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:245.704
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.27
LogP (Chemaxon):4.01

Name Annotations

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Descriptor Annotations

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