Chemical ID: 6667486

CN1c2ccc(cc2C3c4ccccc4CCN3CC1=O)Cl
Chemical ID:
6667486
Name [?]:
None
SMILES [?]:
CN1c2ccc(cc2C3c4ccccc4CCN3CC1=O)Cl
InChi [?]:
InChI=1/C18H17ClN2O/c1-20-16-7-6-13(19)10-15(16)18-14-5-3-2-4-12(14)8-9-21(18)11-17(20)22/h2-7,10,18H,8-9,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,11,5,4,16,17,7,19,15,6,10,8,3,20,9,22,2,18,21/rA:22cCNCCCCCCCCCCCCCCCNCCOCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s9s17;s18;s2s19;d20;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17ClN2O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:2
ZAP Information [?]
Total:9.35606
Area:455.604
Solvation:-2.03404
Coulombic:-23.832
Bond Count [?]
All:25
Single:18
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:312.793
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.67
LogP (Chemaxon):3.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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