Chemical ID: 4841896

CC(C)CCn1c2ccc(cc2c3c1nc4ccccc4n3)Cl
Chemical ID:
4841896
Name [?]:
None
SMILES [?]:
CC(C)CCn1c2ccc(cc2c3c1nc4ccccc4n3)Cl
InChi [?]:
InChI=1/C19H18ClN3/c1-12(2)9-10-23-17-8-7-13(20)11-14(17)18-19(23)22-16-6-4-3-5-15(16)21-18/h3-8,11-12H,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,19,18,20,17,9,8,4,5,11,2,10,12,21,16,7,13,14,23,22,15,6/E:(1,2)/rA:23nCCCCCNCCCCCCCCNCCCCCCNCl/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s6s13;d14;s15;s16;d17;s18;d19;d16s20;d13s21;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18ClN3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.7738
Area:524.875
Solvation:-1.34803
Coulombic:-21.7137
Bond Count [?]
All:26
Single:18
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:323.819
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:6.56
LogP (Chemaxon):6.15

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Descriptor Annotations

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